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

Systemtic Name: 2-aminocarbonyl-3-[4-(2-chlorophenyl)piperazin-1-yl]-3-(3-methylsulfanyl-4-oxidanylidene-but-3-enyl)oxirane-2-carboxylic acid Openeye Name: 2-carbamoyl-3-[4-(2-chlorophenyl)piperazin-1-yl]-3-(3-methylsulfanyl-4-oxo-but-3-enyl)oxirane-2-carboxylic acid CAS Name: 2-carbamoyl-3-[4-(2-chlorophenyl)-1-piperazinyl]-3-[3-(methylthio)-4-oxobut-3-enyl]-2-oxiranecarboxylic acid IUPAC Name: 2-carbamoyl-3-[4-(2-chlorophenyl)piperazin-1-yl]-3-(3-methylsulfanyl-4-oxobut-3-enyl)oxirane-2-carboxylic acid Traditional Name: 2-carbamoyl-3-[4-(2-chlorophenyl)piperazino]-3-[4-keto-3-(methylthio)but-3-enyl]oxirane-2-carboxylic acid Formula: C19H22ClN3O5S MolecularWeight: 439.91308

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Descriptors Computed from Structure

Canonical SMILES:

CSC(=C=O)CCC1(C(O1)(C(=O)N)C(=O)O)N2CCN(CC2)C3=CC=CC=C3Cl

Isomeric SMILES

CSC(=C=O)CCC1(C(O1)(C(=O)N)C(=O)O)N2CCN(CC2)C3=CC=CC=C3Cl

InChI

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