[2-[[2-[(2-ethylphenyl)amino]-2-oxidanylidene-ethyl]amino]-2-oxidanylidene-ethyl] (2R)-2-phenylsulfanylpropanoate

Systemtic Name: [2-[[2-[(2-ethylphenyl)amino]-2-oxidanylidene-ethyl]amino]-2-oxidanylidene-ethyl] (2R)-2-phenylsulfanylpropanoate Openeye Name: [2-[[2-(2-ethylanilino)-2-oxo-ethyl]amino]-2-oxo-ethyl] (2R)-2-phenylsulfanylpropanoate CAS Name: (2R)-2-(phenylthio)propanoic acid [2-[[2-(2-ethylanilino)-2-oxoethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[2-(2-ethylanilino)-2-oxoethyl]amino]-2-oxoethyl] (2R)-2-phenylsulfanylpropanoate Traditional Name: (2R)-2-(phenylthio)propionic acid [2-[[2-(2-ethylanilino)-2-keto-ethyl]amino]-2-keto-ethyl] ester Formula: C21H24N2O4S MolecularWeight: 400.49126

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)CNC(=O)COC(=O)C(C)SC2=CC=CC=C2

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)CNC(=O)COC(=O)[C@@H](C)SC2=CC=CC=C2

InChI

InChI=1S/C21H24N2O4S/c1-3-16-9-7-8-12-18(16)23-19(24)13-22-20(25)14-27-21(26)15(2)28-17-10-5-4-6-11-17/h4-12,15H,3,13-14H2,1-2H3,(H,22,25)(H,23,24)/t15-/m1/s1