[2-(4-chlorophenyl)-2-oxidanylidene-ethyl] 4-(1,3-thiazol-4-ylmethylsulfanyl)benzoate

Systemtic Name: [2-(4-chlorophenyl)-2-oxidanylidene-ethyl] 4-(1,3-thiazol-4-ylmethylsulfanyl)benzoate Openeye Name: [2-(4-chlorophenyl)-2-oxo-ethyl] 4-(thiazol-4-ylmethylsulfanyl)benzoate CAS Name: 4-(4-thiazolylmethylthio)benzoic acid [2-(4-chlorophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-chlorophenyl)-2-oxoethyl] 4-(1,3-thiazol-4-ylmethylsulfanyl)benzoate Traditional Name: 4-(thiazol-4-ylmethylthio)benzoic acid [2-(4-chlorophenyl)-2-keto-ethyl] ester Formula: C19H14ClNO3S2 MolecularWeight: 403.90236

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)OCC(=O)C2=CC=C(C=C2)Cl)SCC3=CSC=N3

Isomeric SMILES

C1=CC(=CC=C1C(=O)OCC(=O)C2=CC=C(C=C2)Cl)SCC3=CSC=N3

InChI

InChI=1S/C19H14ClNO3S2/c20-15-5-1-13(2-6-15)18(22)9-24-19(23)14-3-7-17(8-4-14)26-11-16-10-25-12-21-16/h1-8,10,12H,9,11H2