5-[2-(3-acetamidophenyl)sulfanylbutanoylamino]-2-chloranyl-benzoic acid

Systemtic Name: 5-[2-(3-acetamidophenyl)sulfanylbutanoylamino]-2-chloranyl-benzoic acid Openeye Name: 5-[2-(3-acetamidophenyl)sulfanylbutanoylamino]-2-chloro-benzoic acid CAS Name: 5-[[2-[(3-acetamidophenyl)thio]-1-oxobutyl]amino]-2-chlorobenzoic acid IUPAC Name: 5-[2-(3-acetamidophenyl)sulfanylbutanoylamino]-2-chlorobenzoic acid Traditional Name: 5-[2-[(3-acetamidophenyl)thio]butanoylamino]-2-chloro-benzoic acid Formula: C19H19ClN2O4S MolecularWeight: 406.88316

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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