prop-2-enyl 2-(4-ethanoylsulfanyl-1-prop-2-enoxycarbonyl-pyrrolidin-2-yl)-5-oxidanylidene-piperazine-1-carboxylate

Systemtic Name: prop-2-enyl 2-(4-ethanoylsulfanyl-1-prop-2-enoxycarbonyl-pyrrolidin-2-yl)-5-oxidanylidene-piperazine-1-carboxylate Openeye Name: allyl 2-(4-acetylsulfanyl-1-allyloxycarbonyl-pyrrolidin-2-yl)-5-oxo-piperazine-1-carboxylate CAS Name: 2-[4-(acetylthio)-1-[oxo(prop-2-enoxy)methyl]-2-pyrrolidinyl]-5-oxo-1-piperazinecarboxylic acid prop-2-enyl ester IUPAC Name: prop-2-enyl 2-(4-acetylsulfanyl-1-prop-2-enoxycarbonylpyrrolidin-2-yl)-5-oxopiperazine-1-carboxylate Traditional Name: 2-[4-(acetylthio)-1-allyloxycarbonyl-pyrrolidin-2-yl]-5-keto-piperazine-1-carboxylic acid allyl ester Formula: C18H25N3O6S MolecularWeight: 411.4726

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC1CC(N(C1)C(=O)OCC=C)C2CNC(=O)CN2C(=O)OCC=C

Isomeric SMILES

CC(=O)SC1CC(N(C1)C(=O)OCC=C)C2CNC(=O)CN2C(=O)OCC=C

InChI

InChI=1S/C18H25N3O6S/c1-4-6-26-17(24)20-10-13(28-12(3)22)8-14(20)15-9-19-16(23)11-21(15)18(25)27-7-5-2/h4-5,13-15H,1-2,6-11H2,3H3,(H,19,23)