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

Systemtic Name: 4-chloranyl-3-[[2-(phenylmethyl)-3-sulfanyl-propanoyl]amino]benzoic acid Openeye Name: 3-[(2-benzyl-3-sulfanyl-propanoyl)amino]-4-chloro-benzoic acid CAS Name: 4-chloro-3-[[2-(mercaptomethyl)-1-oxo-3-phenylpropyl]amino]benzoic acid IUPAC Name: 3-[(2-benzyl-3-sulfanylpropanoyl)amino]-4-chlorobenzoic acid Traditional Name: 3-[(2-benzyl-3-mercapto-propanoyl)amino]-4-chloro-benzoic acid Formula: C17H16ClNO3S MolecularWeight: 349.83184

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16ClNO3S/c18-14-7-6-12(17(21)22)9-15(14)19-16(20)13(10-23)8-11-4-2-1-3-5-11/h1-7,9,13,23H,8,10H2,(H,19,20)(H,21,22)