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

Systemtic Name: 3-[[2-(phenylmethyl)-3-sulfanyl-propanoyl]amino]benzoic acid Openeye Name: 3-[(2-benzyl-3-sulfanyl-propanoyl)amino]benzoic acid CAS Name: 3-[[2-(mercaptomethyl)-1-oxo-3-phenylpropyl]amino]benzoic acid IUPAC Name: 3-[(2-benzyl-3-sulfanylpropanoyl)amino]benzoic acid Traditional Name: 3-[(2-benzyl-3-mercapto-propanoyl)amino]benzoic acid Formula: C17H17NO3S MolecularWeight: 315.38678

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17NO3S/c19-16(14(11-22)9-12-5-2-1-3-6-12)18-15-8-4-7-13(10-15)17(20)21/h1-8,10,14,22H,9,11H2,(H,18,19)(H,20,21)