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

Systemtic Name: 5-[2-(3-acetamidophenyl)sulfanylbutanoylamino]-2-oxidanyl-benzoic acid Openeye Name: 5-[2-(3-acetamidophenyl)sulfanylbutanoylamino]-2-hydroxy-benzoic acid CAS Name: 5-[[2-[(3-acetamidophenyl)thio]-1-oxobutyl]amino]-2-hydroxybenzoic acid IUPAC Name: 5-[2-(3-acetamidophenyl)sulfanylbutanoylamino]-2-hydroxybenzoic acid Traditional Name: 5-[2-[(3-acetamidophenyl)thio]butanoylamino]-2-hydroxy-benzoic acid Formula: C19H20N2O5S MolecularWeight: 388.4375

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20N2O5S/c1-3-17(27-14-6-4-5-12(9-14)20-11(2)22)18(24)21-13-7-8-16(23)15(10-13)19(25)26/h4-10,17,23H,3H2,1-2H3,(H,20,22)(H,21,24)(H,25,26)