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

Systemtic Name: ethyl 3-methyl-5-[2-[4-(4-nitrophenyl)piperazin-1-yl]ethanoylamino]thiophene-2-carboxylate Openeye Name: ethyl 3-methyl-5-[[2-[4-(4-nitrophenyl)piperazin-1-yl]acetyl]amino]thiophene-2-carboxylate CAS Name: 3-methyl-5-[[2-[4-(4-nitrophenyl)-1-piperazinyl]-1-oxoethyl]amino]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 3-methyl-5-[[2-[4-(4-nitrophenyl)piperazin-1-yl]acetyl]amino]thiophene-2-carboxylate Traditional Name: 3-methyl-5-[[2-[4-(4-nitrophenyl)piperazino]acetyl]amino]thiophene-2-carboxylic acid ethyl ester Formula: C20H24N4O5S MolecularWeight: 432.49336

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C(S1)NC(=O)CN2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-])C

Isomeric SMILES

CCOC(=O)C1=C(C=C(S1)NC(=O)CN2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-])C

InChI

InChI=1S/C20H24N4O5S/c1-3-29-20(26)19-14(2)12-18(30-19)21-17(25)13-22-8-10-23(11-9-22)15-4-6-16(7-5-15)24(27)28/h4-7,12H,3,8-11,13H2,1-2H3,(H,21,25)