methyl 2-[2-(3-acetamidophenyl)sulfanylbutanoylamino]benzoate

Systemtic Name: methyl 2-[2-(3-acetamidophenyl)sulfanylbutanoylamino]benzoate Openeye Name: methyl 2-[2-(3-acetamidophenyl)sulfanylbutanoylamino]benzoate CAS Name: 2-[[2-[(3-acetamidophenyl)thio]-1-oxobutyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[2-(3-acetamidophenyl)sulfanylbutanoylamino]benzoate Traditional Name: 2-[2-[(3-acetamidophenyl)thio]butanoylamino]benzoic acid methyl ester Formula: C20H22N2O4S MolecularWeight: 386.46468

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=CC=C1C(=O)OC)SC2=CC=CC(=C2)NC(=O)C

Isomeric SMILES

CCC(C(=O)NC1=CC=CC=C1C(=O)OC)SC2=CC=CC(=C2)NC(=O)C

InChI

InChI=1S/C20H22N2O4S/c1-4-18(27-15-9-7-8-14(12-15)21-13(2)23)19(24)22-17-11-6-5-10-16(17)20(25)26-3/h5-12,18H,4H2,1-3H3,(H,21,23)(H,22,24)