[2-(acetamidomethylsulfanyl)-3-oxidanylidene-prop-2-enyl] 2-aminocarbonyl-3-[4-(2-chlorophenyl)piperazin-1-yl]oxirane-2-carboxylate

Systemtic Name: [2-(acetamidomethylsulfanyl)-3-oxidanylidene-prop-2-enyl] 2-aminocarbonyl-3-[4-(2-chlorophenyl)piperazin-1-yl]oxirane-2-carboxylate Openeye Name: [2-(acetamidomethylsulfanyl)-3-oxo-allyl] 2-carbamoyl-3-[4-(2-chlorophenyl)piperazin-1-yl]oxirane-2-carboxylate CAS Name: 2-carbamoyl-3-[4-(2-chlorophenyl)-1-piperazinyl]-2-oxiranecarboxylic acid [2-(acetamidomethylthio)-3-oxoprop-2-enyl] ester IUPAC Name: [2-(acetamidomethylsulfanyl)-3-oxoprop-2-enyl] 2-carbamoyl-3-[4-(2-chlorophenyl)piperazin-1-yl]oxirane-2-carboxylate Traditional Name: 2-carbamoyl-3-[4-(2-chlorophenyl)piperazino]oxirane-2-carboxylic acid [2-(acetamidomethylthio)-3-keto-allyl] ester Formula: C20H23ClN4O6S MolecularWeight: 482.93782

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCSC(=C=O)COC(=O)C1(C(O1)N2CCN(CC2)C3=CC=CC=C3Cl)C(=O)N

Isomeric SMILES

CC(=O)NCSC(=C=O)COC(=O)C1(C(O1)N2CCN(CC2)C3=CC=CC=C3Cl)C(=O)N

InChI

InChI=1S/C20H23ClN4O6S/c1-13(27)23-12-32-14(10-26)11-30-19(29)20(17(22)28)18(31-20)25-8-6-24(7-9-25)16-5-3-2-4-15(16)21/h2-5,18H,6-9,11-12H2,1H3,(H2,22,28)(H,23,27)