ethyl 3-[[2-(phenylmethyl)-3-sulfanyl-propanoyl]amino]benzoate

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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