ethyl 3-[2-[4-(6-nitropyridin-3-yl)piperazin-1-yl]ethanoylamino]-5-phenyl-thiophene-2-carboxylate

Systemtic Name: ethyl 3-[2-[4-(6-nitropyridin-3-yl)piperazin-1-yl]ethanoylamino]-5-phenyl-thiophene-2-carboxylate Openeye Name: ethyl 3-[[2-[4-(6-nitro-3-pyridyl)piperazin-1-yl]acetyl]amino]-5-phenyl-thiophene-2-carboxylate CAS Name: 3-[[2-[4-(6-nitro-3-pyridinyl)-1-piperazinyl]-1-oxoethyl]amino]-5-phenyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[[2-[4-(6-nitropyridin-3-yl)piperazin-1-yl]acetyl]amino]-5-phenylthiophene-2-carboxylate Traditional Name: 3-[[2-[4-(6-nitro-3-pyridyl)piperazino]acetyl]amino]-5-phenyl-thiophene-2-carboxylic acid ethyl ester Formula: C24H25N5O5S MolecularWeight: 495.5508

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C(S1)C2=CC=CC=C2)NC(=O)CN3CCN(CC3)C4=CN=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(C=C(S1)C2=CC=CC=C2)NC(=O)CN3CCN(CC3)C4=CN=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C24H25N5O5S/c1-2-34-24(31)23-19(14-20(35-23)17-6-4-3-5-7-17)26-22(30)16-27-10-12-28(13-11-27)18-8-9-21(25-15-18)29(32)33/h3-9,14-15H,2,10-13,16H2,1H3,(H,26,30)