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

Systemtic Name: 4-[[2-[(2-chlorophenyl)methylsulfanyl]-5-oxidanylidene-1,3-thiazol-4-ylidene]methyl]benzoic acid Openeye Name: 4-[[2-[(2-chlorophenyl)methylsulfanyl]-5-oxo-thiazol-4-ylidene]methyl]benzoic acid CAS Name: 4-[[2-[(2-chlorophenyl)methylthio]-5-oxo-4-thiazolylidene]methyl]benzoic acid IUPAC Name: 4-[[2-[(2-chlorophenyl)methylsulfanyl]-5-oxo-1,3-thiazol-4-ylidene]methyl]benzoic acid Traditional Name: 4-[[2-[(2-chlorobenzyl)thio]-5-keto-2-thiazolin-4-ylidene]methyl]benzoic acid Formula: C18H12ClNO3S2 MolecularWeight: 389.87578

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C18H12ClNO3S2/c19-14-4-2-1-3-13(14)10-24-18-20-15(17(23)25-18)9-11-5-7-12(8-6-11)16(21)22/h1-9H,10H2,(H,21,22)