[2-(3-acetamido-4-methylsulfanyl-phenyl)-2-oxidanylidene-ethyl] 2,3-bis(chloranyl)benzoate

Systemtic Name: [2-(3-acetamido-4-methylsulfanyl-phenyl)-2-oxidanylidene-ethyl] 2,3-bis(chloranyl)benzoate Openeye Name: [2-(3-acetamido-4-methylsulfanyl-phenyl)-2-oxo-ethyl] 2,3-dichlorobenzoate CAS Name: 2,3-dichlorobenzoic acid [2-[3-acetamido-4-(methylthio)phenyl]-2-oxoethyl] ester IUPAC Name: [2-(3-acetamido-4-methylsulfanylphenyl)-2-oxoethyl] 2,3-dichlorobenzoate Traditional Name: 2,3-dichlorobenzoic acid [2-[3-acetamido-4-(methylthio)phenyl]-2-keto-ethyl] ester Formula: C18H15Cl2NO4S MolecularWeight: 412.287

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15Cl2NO4S/c1-10(22)21-14-8-11(6-7-16(14)26-2)15(23)9-25-18(24)12-4-3-5-13(19)17(12)20/h3-8H,9H2,1-2H3,(H,21,22)