methyl 2-(2-chlorophenyl)-2-[4-(5-methyl-4-nitro-thiophen-2-yl)carbonylpiperazin-1-yl]ethanoate

Systemtic Name: methyl 2-(2-chlorophenyl)-2-[4-(5-methyl-4-nitro-thiophen-2-yl)carbonylpiperazin-1-yl]ethanoate Openeye Name: methyl 2-(2-chlorophenyl)-2-[4-(5-methyl-4-nitro-thiophene-2-carbonyl)piperazin-1-yl]acetate CAS Name: 2-(2-chlorophenyl)-2-[4-[(5-methyl-4-nitro-2-thiophenyl)-oxomethyl]-1-piperazinyl]acetic acid methyl ester IUPAC Name: methyl 2-(2-chlorophenyl)-2-[4-(5-methyl-4-nitrothiophene-2-carbonyl)piperazin-1-yl]acetate Traditional Name: 2-(2-chlorophenyl)-2-[4-(5-methyl-4-nitro-thiophene-2-carbonyl)piperazino]acetic acid methyl ester Formula: C19H20ClN3O5S MolecularWeight: 437.8972

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(S1)C(=O)N2CCN(CC2)C(C3=CC=CC=C3Cl)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(S1)C(=O)N2CCN(CC2)C(C3=CC=CC=C3Cl)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C19H20ClN3O5S/c1-12-15(23(26)27)11-16(29-12)18(24)22-9-7-21(8-10-22)17(19(25)28-2)13-5-3-4-6-14(13)20/h3-6,11,17H,7-10H2,1-2H3