[1-methoxy-3-methylsulfanyl-1-oxidanylidene-2-(3-phenylpropanoylamino)propan-2-yl] 4-methylpiperazine-1-carboxylate

Systemtic Name: [1-methoxy-3-methylsulfanyl-1-oxidanylidene-2-(3-phenylpropanoylamino)propan-2-yl] 4-methylpiperazine-1-carboxylate Openeye Name: [2-methoxy-1-(methylsulfanylmethyl)-2-oxo-1-(3-phenylpropanoylamino)ethyl] 4-methylpiperazine-1-carboxylate CAS Name: 4-methyl-1-piperazinecarboxylic acid [1-methoxy-3-(methylthio)-1-oxo-2-[(1-oxo-3-phenylpropyl)amino]propan-2-yl] ester IUPAC Name: [1-methoxy-3-methylsulfanyl-1-oxo-2-(3-phenylpropanoylamino)propan-2-yl] 4-methylpiperazine-1-carboxylate Traditional Name: 4-methylpiperazine-1-carboxylic acid [1-(hydrocinnamoylamino)-2-keto-2-methoxy-1-[(methylthio)methyl]ethyl] ester Formula: C20H29N3O5S MolecularWeight: 423.52636

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=O)OC(CSC)(C(=O)OC)NC(=O)CCC2=CC=CC=C2

Isomeric SMILES

CN1CCN(CC1)C(=O)OC(CSC)(C(=O)OC)NC(=O)CCC2=CC=CC=C2

InChI

InChI=1S/C20H29N3O5S/c1-22-11-13-23(14-12-22)19(26)28-20(15-29-3,18(25)27-2)21-17(24)10-9-16-7-5-4-6-8-16/h4-8H,9-15H2,1-3H3,(H,21,24)