methyl 2-ethyl-4-methyl-5-[4-(5-nitrothiophen-2-yl)carbonylpiperazin-1-yl]carbonyl-1H-pyrrole-3-carboxylate

Systemtic Name: methyl 2-ethyl-4-methyl-5-[4-(5-nitrothiophen-2-yl)carbonylpiperazin-1-yl]carbonyl-1H-pyrrole-3-carboxylate Openeye Name: methyl 2-ethyl-4-methyl-5-[4-(5-nitrothiophene-2-carbonyl)piperazine-1-carbonyl]-1H-pyrrole-3-carboxylate CAS Name: 2-ethyl-4-methyl-5-[[4-[(5-nitro-2-thiophenyl)-oxomethyl]-1-piperazinyl]-oxomethyl]-1H-pyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl 2-ethyl-4-methyl-5-[4-(5-nitrothiophene-2-carbonyl)piperazine-1-carbonyl]-1H-pyrrole-3-carboxylate Traditional Name: 2-ethyl-4-methyl-5-[4-(5-nitrothiophene-2-carbonyl)piperazine-1-carbonyl]-1H-pyrrole-3-carboxylic acid methyl ester Formula: C19H22N4O6S MolecularWeight: 434.46618

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C(N1)C(=O)N2CCN(CC2)C(=O)C3=CC=C(S3)[N+](=O)[O-])C)C(=O)OC

Isomeric SMILES

CCC1=C(C(=C(N1)C(=O)N2CCN(CC2)C(=O)C3=CC=C(S3)[N+](=O)[O-])C)C(=O)OC

InChI

InChI=1S/C19H22N4O6S/c1-4-12-15(19(26)29-3)11(2)16(20-12)18(25)22-9-7-21(8-10-22)17(24)13-5-6-14(30-13)23(27)28/h5-6,20H,4,7-10H2,1-3H3