ethyl 2-[2-[4-(4-chloranyl-2-nitro-phenyl)piperazin-1-yl]ethanoylamino]-4-methyl-5-phenyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-[4-(4-chloranyl-2-nitro-phenyl)piperazin-1-yl]ethanoylamino]-4-methyl-5-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-[4-(4-chloro-2-nitro-phenyl)piperazin-1-yl]acetyl]amino]-4-methyl-5-phenyl-thiophene-3-carboxylate CAS Name: 2-[[2-[4-(4-chloro-2-nitrophenyl)-1-piperazinyl]-1-oxoethyl]amino]-4-methyl-5-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-[4-(4-chloro-2-nitrophenyl)piperazin-1-yl]acetyl]amino]-4-methyl-5-phenylthiophene-3-carboxylate Traditional Name: 2-[[2-[4-(4-chloro-2-nitro-phenyl)piperazino]acetyl]amino]-4-methyl-5-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C26H27ClN4O5S MolecularWeight: 543.03438

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C2=CC=CC=C2)NC(=O)CN3CCN(CC3)C4=C(C=C(C=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C2=CC=CC=C2)NC(=O)CN3CCN(CC3)C4=C(C=C(C=C4)Cl)[N+](=O)[O-]

InChI

InChI=1S/C26H27ClN4O5S/c1-3-36-26(33)23-17(2)24(18-7-5-4-6-8-18)37-25(23)28-22(32)16-29-11-13-30(14-12-29)20-10-9-19(27)15-21(20)31(34)35/h4-10,15H,3,11-14,16H2,1-2H3,(H,28,32)