3-ethyl-5-[[2-(phenylmethyl)-3-sulfanyl-propanoyl]amino]benzoic acid

Systemtic Name: 3-ethyl-5-[[2-(phenylmethyl)-3-sulfanyl-propanoyl]amino]benzoic acid Openeye Name: 3-[(2-benzyl-3-sulfanyl-propanoyl)amino]-5-ethyl-benzoic acid CAS Name: 3-ethyl-5-[[2-(mercaptomethyl)-1-oxo-3-phenylpropyl]amino]benzoic acid IUPAC Name: 3-[(2-benzyl-3-sulfanylpropanoyl)amino]-5-ethylbenzoic acid Traditional Name: 3-[(2-benzyl-3-mercapto-propanoyl)amino]-5-ethyl-benzoic acid Formula: C19H21NO3S MolecularWeight: 343.43994

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC(=C1)C(=O)O)NC(=O)C(CC2=CC=CC=C2)CS

Isomeric SMILES

CCC1=CC(=CC(=C1)C(=O)O)NC(=O)C(CC2=CC=CC=C2)CS

InChI

InChI=1S/C19H21NO3S/c1-2-13-8-15(19(22)23)11-17(10-13)20-18(21)16(12-24)9-14-6-4-3-5-7-14/h3-8,10-11,16,24H,2,9,12H2,1H3,(H,20,21)(H,22,23)