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

Systemtic Name: [2-(diethylamino)-2-oxidanylidene-ethyl] 3-[[2-(phenylmethyl)-3-sulfanyl-propanoyl]amino]benzoate Openeye Name: [2-(diethylamino)-2-oxo-ethyl] 3-[(2-benzyl-3-sulfanyl-propanoyl)amino]benzoate CAS Name: 3-[[2-(mercaptomethyl)-1-oxo-3-phenylpropyl]amino]benzoic acid [2-(diethylamino)-2-oxoethyl] ester IUPAC Name: [2-(diethylamino)-2-oxoethyl] 3-[(2-benzyl-3-sulfanylpropanoyl)amino]benzoate Traditional Name: 3-[(2-benzyl-3-mercapto-propanoyl)amino]benzoic acid [2-(diethylamino)-2-keto-ethyl] ester Formula: C23H28N2O4S MolecularWeight: 428.54442

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)COC(=O)C1=CC(=CC=C1)NC(=O)C(CC2=CC=CC=C2)CS

Isomeric SMILES

CCN(CC)C(=O)COC(=O)C1=CC(=CC=C1)NC(=O)C(CC2=CC=CC=C2)CS

InChI

InChI=1S/C23H28N2O4S/c1-3-25(4-2)21(26)15-29-23(28)18-11-8-12-20(14-18)24-22(27)19(16-30)13-17-9-6-5-7-10-17/h5-12,14,19,30H,3-4,13,15-16H2,1-2H3,(H,24,27)