methyl 3-[2-[4-(4-chloranyl-2-nitro-phenyl)piperazin-1-yl]ethanoylamino]thiophene-2-carboxylate

Systemtic Name: methyl 3-[2-[4-(4-chloranyl-2-nitro-phenyl)piperazin-1-yl]ethanoylamino]thiophene-2-carboxylate Openeye Name: methyl 3-[[2-[4-(4-chloro-2-nitro-phenyl)piperazin-1-yl]acetyl]amino]thiophene-2-carboxylate CAS Name: 3-[[2-[4-(4-chloro-2-nitrophenyl)-1-piperazinyl]-1-oxoethyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[[2-[4-(4-chloro-2-nitrophenyl)piperazin-1-yl]acetyl]amino]thiophene-2-carboxylate Traditional Name: 3-[[2-[4-(4-chloro-2-nitro-phenyl)piperazino]acetyl]amino]thiophene-2-carboxylic acid methyl ester Formula: C18H19ClN4O5S MolecularWeight: 438.88526

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19ClN4O5S/c1-28-18(25)17-13(4-9-29-17)20-16(24)11-21-5-7-22(8-6-21)14-3-2-12(19)10-15(14)23(26)27/h2-4,9-10H,5-8,11H2,1H3,(H,20,24)