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

Systemtic Name: (3-methylsulfanyl-4-oxidanylidene-but-3-enyl) 2-aminocarbonyl-3-[4-(2-chlorophenyl)piperazin-1-yl]oxirane-2-carboxylate Openeye Name: (3-methylsulfanyl-4-oxo-but-3-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 [3-(methylthio)-4-oxobut-3-enyl] ester IUPAC Name: (3-methylsulfanyl-4-oxobut-3-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 [4-keto-3-(methylthio)but-3-enyl] ester Formula: C19H22ClN3O5S MolecularWeight: 439.91308

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22ClN3O5S/c1-29-13(12-24)6-11-27-18(26)19(16(21)25)17(28-19)23-9-7-22(8-10-23)15-5-3-2-4-14(15)20/h2-5,17H,6-11H2,1H3,(H2,21,25)