(4-methylsulfanyl-5-oxidanylidene-pent-4-enyl) 2-aminocarbonyl-3-[4-(2-chlorophenyl)piperazin-1-yl]oxirane-2-carboxylate

Systemtic Name: (4-methylsulfanyl-5-oxidanylidene-pent-4-enyl) 2-aminocarbonyl-3-[4-(2-chlorophenyl)piperazin-1-yl]oxirane-2-carboxylate Openeye Name: (4-methylsulfanyl-5-oxo-pent-4-enyl) 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 [4-(methylthio)-5-oxopent-4-enyl] ester IUPAC Name: (4-methylsulfanyl-5-oxopent-4-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 [5-keto-4-(methylthio)pent-4-enyl] ester Formula: C20H24ClN3O5S MolecularWeight: 453.93966

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Descriptors Computed from Structure

Canonical SMILES:

CSC(=C=O)CCCOC(=O)C1(C(O1)N2CCN(CC2)C3=CC=CC=C3Cl)C(=O)N

Isomeric SMILES

CSC(=C=O)CCCOC(=O)C1(C(O1)N2CCN(CC2)C3=CC=CC=C3Cl)C(=O)N

InChI

InChI=1S/C20H24ClN3O5S/c1-30-14(13-25)5-4-12-28-19(27)20(17(22)26)18(29-20)24-10-8-23(9-11-24)16-7-3-2-6-15(16)21/h2-3,6-7,18H,4-5,8-12H2,1H3,(H2,22,26)