VIZ
2-[(2~{Z})-2-[2-(naphthalen-2-ylmethylsulfonyl)ethanoylimino]-3-oxidanyl-1,3-thiazol-4-yl]ethanoic acid
Created: | 2023-07-27 |
Last modified: | 2023-12-13 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 44 |
Chiral Atom Count | 0 |
Bond Count | 46 |
Aromatic Bond Count | 11 |
Chemical Component Summary | |
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Name | 2-[(2~{Z})-2-[2-(naphthalen-2-ylmethylsulfonyl)ethanoylimino]-3-oxidanyl-1,3-thiazol-4-yl]ethanoic acid |
Systematic Name (OpenEye OEToolkits) | 2-[(2~{Z})-2-[2-(naphthalen-2-ylmethylsulfonyl)ethanoylimino]-3-oxidanyl-1,3-thiazol-4-yl]ethanoic acid |
Formula | C18 H16 N2 O6 S2 |
Molecular Weight | 420.459 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | CACTVS | 3.385 | ON1C(=CSC1=NC(=O)C[S](=O)(=O)Cc2ccc3ccccc3c2)CC(O)=O |
SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc2cc(ccc2c1)CS(=O)(=O)CC(=O)N=C3N(C(=CS3)CC(=O)O)O |
Canonical SMILES | CACTVS | 3.385 | ON1C(=CSC1=NC(=O)C[S](=O)(=O)Cc2ccc3ccccc3c2)CC(O)=O |
Canonical SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc2cc(ccc2c1)CS(=O)(=O)CC(=O)/N=C\3/N(C(=CS3)CC(=O)O)O |
InChI | InChI | 1.06 | InChI=1S/C18H16N2O6S2/c21-16(19-18-20(24)15(9-27-18)8-17(22)23)11-28(25,26)10-12-5-6-13-3-1-2-4-14(13)7-12/h1-7,9,24H,8,10-11H2,(H,22,23)/b19-18- |
InChIKey | InChI | 1.06 | QNCNQHCDQMPPGD-HNENSFHCSA-N |