5-[2-(4-aminophenyl)sulfanylbutanoylamino]-2-oxidanyl-benzoic acid

Systemtic Name: 5-[2-(4-aminophenyl)sulfanylbutanoylamino]-2-oxidanyl-benzoic acid Openeye Name: 5-[2-(4-aminophenyl)sulfanylbutanoylamino]-2-hydroxy-benzoic acid CAS Name: 5-[[2-[(4-aminophenyl)thio]-1-oxobutyl]amino]-2-hydroxybenzoic acid IUPAC Name: 5-[2-(4-aminophenyl)sulfanylbutanoylamino]-2-hydroxybenzoic acid Traditional Name: 5-[2-[(4-aminophenyl)thio]butanoylamino]-2-hydroxy-benzoic acid Formula: C17H18N2O4S MolecularWeight: 346.40082

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N2O4S/c1-2-15(24-12-6-3-10(18)4-7-12)16(21)19-11-5-8-14(20)13(9-11)17(22)23/h3-9,15,20H,2,18H2,1H3,(H,19,21)(H,22,23)