4-[(Z)-[5-oxidanylidene-2-(phenylmethylsulfanyl)-1,3-thiazol-4-ylidene]methyl]benzoic acid

Systemtic Name: 4-[(Z)-[5-oxidanylidene-2-(phenylmethylsulfanyl)-1,3-thiazol-4-ylidene]methyl]benzoic acid Openeye Name: 4-[(Z)-(2-benzylsulfanyl-5-oxo-thiazol-4-ylidene)methyl]benzoic acid CAS Name: 4-[(Z)-[5-oxo-2-(phenylmethylthio)-4-thiazolylidene]methyl]benzoic acid IUPAC Name: 4-[(Z)-(2-benzylsulfanyl-5-oxo-1,3-thiazol-4-ylidene)methyl]benzoic acid Traditional Name: 4-[(Z)-[2-(benzylthio)-5-keto-2-thiazolin-4-ylidene]methyl]benzoic acid Formula: C18H13NO3S2 MolecularWeight: 355.43072

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NC(=CC3=CC=C(C=C3)C(=O)O)C(=O)S2

Isomeric SMILES

C1=CC=C(C=C1)CSC2=N/C(=C\C3=CC=C(C=C3)C(=O)O)/C(=O)S2

InChI

InChI=1S/C18H13NO3S2/c20-16(21)14-8-6-12(7-9-14)10-15-17(22)24-18(19-15)23-11-13-4-2-1-3-5-13/h1-10H,11H2,(H,20,21)/b15-10-