[2-oxidanylidene-2-[4-(propanoylamino)phenyl]ethyl] 2-chloranyl-5-methylsulfanyl-benzoate

Systemtic Name: [2-oxidanylidene-2-[4-(propanoylamino)phenyl]ethyl] 2-chloranyl-5-methylsulfanyl-benzoate Openeye Name: [2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2-chloro-5-methylsulfanyl-benzoate CAS Name: 2-chloro-5-(methylthio)benzoic acid [2-oxo-2-[4-(1-oxopropylamino)phenyl]ethyl] ester IUPAC Name: [2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2-chloro-5-methylsulfanylbenzoate Traditional Name: 2-chloro-5-(methylthio)benzoic acid [2-keto-2-(4-propionamidophenyl)ethyl] ester Formula: C19H18ClNO4S MolecularWeight: 391.86852

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=CC=C(C=C1)C(=O)COC(=O)C2=C(C=CC(=C2)SC)Cl

Isomeric SMILES

CCC(=O)NC1=CC=C(C=C1)C(=O)COC(=O)C2=C(C=CC(=C2)SC)Cl

InChI

InChI=1S/C19H18ClNO4S/c1-3-18(23)21-13-6-4-12(5-7-13)17(22)11-25-19(24)15-10-14(26-2)8-9-16(15)20/h4-10H,3,11H2,1-2H3,(H,21,23)