5-[3-(4-aminophenyl)sulfanylpropanoylamino]-2-oxidanyl-benzoic acid

Systemtic Name: 5-[3-(4-aminophenyl)sulfanylpropanoylamino]-2-oxidanyl-benzoic acid Openeye Name: 5-[3-(4-aminophenyl)sulfanylpropanoylamino]-2-hydroxy-benzoic acid CAS Name: 5-[[3-[(4-aminophenyl)thio]-1-oxopropyl]amino]-2-hydroxybenzoic acid IUPAC Name: 5-[3-(4-aminophenyl)sulfanylpropanoylamino]-2-hydroxybenzoic acid Traditional Name: 5-[3-[(4-aminophenyl)thio]propanoylamino]-2-hydroxy-benzoic acid Formula: C16H16N2O4S MolecularWeight: 332.37424

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N)SCCC(=O)NC2=CC(=C(C=C2)O)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1N)SCCC(=O)NC2=CC(=C(C=C2)O)C(=O)O

InChI

InChI=1S/C16H16N2O4S/c17-10-1-4-12(5-2-10)23-8-7-15(20)18-11-3-6-14(19)13(9-11)16(21)22/h1-6,9,19H,7-8,17H2,(H,18,20)(H,21,22)