2-oxidanyl-4-[[2-(phenylmethyl)-3-sulfanyl-propanoyl]amino]benzoic acid

Systemtic Name: 2-oxidanyl-4-[[2-(phenylmethyl)-3-sulfanyl-propanoyl]amino]benzoic acid Openeye Name: 4-[(2-benzyl-3-sulfanyl-propanoyl)amino]-2-hydroxy-benzoic acid CAS Name: 2-hydroxy-4-[[2-(mercaptomethyl)-1-oxo-3-phenylpropyl]amino]benzoic acid IUPAC Name: 4-[(2-benzyl-3-sulfanylpropanoyl)amino]-2-hydroxybenzoic acid Traditional Name: 4-[(2-benzyl-3-mercapto-propanoyl)amino]-2-hydroxy-benzoic acid Formula: C17H17NO4S MolecularWeight: 331.38618

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(CS)C(=O)NC2=CC(=C(C=C2)C(=O)O)O

Isomeric SMILES

C1=CC=C(C=C1)CC(CS)C(=O)NC2=CC(=C(C=C2)C(=O)O)O

InChI

InChI=1S/C17H17NO4S/c19-15-9-13(6-7-14(15)17(21)22)18-16(20)12(10-23)8-11-4-2-1-3-5-11/h1-7,9,12,19,23H,8,10H2,(H,18,20)(H,21,22)