[2-[(3-acetamidophenyl)amino]-2-oxidanylidene-ethyl] 2-chloranyl-5-methylsulfanyl-benzoate

Systemtic Name: [2-[(3-acetamidophenyl)amino]-2-oxidanylidene-ethyl] 2-chloranyl-5-methylsulfanyl-benzoate Openeye Name: [2-(3-acetamidoanilino)-2-oxo-ethyl] 2-chloro-5-methylsulfanyl-benzoate CAS Name: 2-chloro-5-(methylthio)benzoic acid [2-(3-acetamidoanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-acetamidoanilino)-2-oxoethyl] 2-chloro-5-methylsulfanylbenzoate Traditional Name: 2-chloro-5-(methylthio)benzoic acid [2-(3-acetamidoanilino)-2-keto-ethyl] ester Formula: C18H17ClN2O4S MolecularWeight: 392.85658

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17ClN2O4S/c1-11(22)20-12-4-3-5-13(8-12)21-17(23)10-25-18(24)15-9-14(26-2)6-7-16(15)19/h3-9H,10H2,1-2H3,(H,20,22)(H,21,23)