methyl 3-[2-[4-(4-nitrophenyl)piperazin-1-yl]ethanoylamino]thiophene-2-carboxylate

Systemtic Name: methyl 3-[2-[4-(4-nitrophenyl)piperazin-1-yl]ethanoylamino]thiophene-2-carboxylate Openeye Name: methyl 3-[[2-[4-(4-nitrophenyl)piperazin-1-yl]acetyl]amino]thiophene-2-carboxylate CAS Name: 3-[[2-[4-(4-nitrophenyl)-1-piperazinyl]-1-oxoethyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[[2-[4-(4-nitrophenyl)piperazin-1-yl]acetyl]amino]thiophene-2-carboxylate Traditional Name: 3-[[2-[4-(4-nitrophenyl)piperazino]acetyl]amino]thiophene-2-carboxylic acid methyl ester Formula: C18H20N4O5S MolecularWeight: 404.4402

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CS1)NC(=O)CN2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=C(C=CS1)NC(=O)CN2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H20N4O5S/c1-27-18(24)17-15(6-11-28-17)19-16(23)12-20-7-9-21(10-8-20)13-2-4-14(5-3-13)22(25)26/h2-6,11H,7-10,12H2,1H3,(H,19,23)