3-[2-(3-acetamidophenyl)sulfanylbutanoylamino]-4-chloranyl-benzoic acid

Systemtic Name: 3-[2-(3-acetamidophenyl)sulfanylbutanoylamino]-4-chloranyl-benzoic acid Openeye Name: 3-[2-(3-acetamidophenyl)sulfanylbutanoylamino]-4-chloro-benzoic acid CAS Name: 3-[[2-[(3-acetamidophenyl)thio]-1-oxobutyl]amino]-4-chlorobenzoic acid IUPAC Name: 3-[2-(3-acetamidophenyl)sulfanylbutanoylamino]-4-chlorobenzoic acid Traditional Name: 3-[2-[(3-acetamidophenyl)thio]butanoylamino]-4-chloro-benzoic acid Formula: C19H19ClN2O4S MolecularWeight: 406.88316

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(C=CC(=C1)C(=O)O)Cl)SC2=CC=CC(=C2)NC(=O)C

Isomeric SMILES

CCC(C(=O)NC1=C(C=CC(=C1)C(=O)O)Cl)SC2=CC=CC(=C2)NC(=O)C

InChI

InChI=1S/C19H19ClN2O4S/c1-3-17(27-14-6-4-5-13(10-14)21-11(2)23)18(24)22-16-9-12(19(25)26)7-8-15(16)20/h4-10,17H,3H2,1-2H3,(H,21,23)(H,22,24)(H,25,26)