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

Systemtic Name: 4-methoxy-2-[[2-(phenylmethyl)-3-sulfanyl-propanoyl]amino]benzoic acid Openeye Name: 2-[(2-benzyl-3-sulfanyl-propanoyl)amino]-4-methoxy-benzoic acid CAS Name: 2-[[2-(mercaptomethyl)-1-oxo-3-phenylpropyl]amino]-4-methoxybenzoic acid IUPAC Name: 2-[(2-benzyl-3-sulfanylpropanoyl)amino]-4-methoxybenzoic acid Traditional Name: 2-[(2-benzyl-3-mercapto-propanoyl)amino]-4-methoxy-benzoic acid Formula: C18H19NO4S MolecularWeight: 345.41276

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C(=O)O)NC(=O)C(CC2=CC=CC=C2)CS

Isomeric SMILES

COC1=CC(=C(C=C1)C(=O)O)NC(=O)C(CC2=CC=CC=C2)CS

InChI

InChI=1S/C18H19NO4S/c1-23-14-7-8-15(18(21)22)16(10-14)19-17(20)13(11-24)9-12-5-3-2-4-6-12/h2-8,10,13,24H,9,11H2,1H3,(H,19,20)(H,21,22)