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

Systemtic Name: ethyl 5-[2-[4-(4-chloranyl-2-nitro-phenyl)piperazin-1-yl]ethanoylamino]-3-methyl-thiophene-2-carboxylate Openeye Name: ethyl 5-[[2-[4-(4-chloro-2-nitro-phenyl)piperazin-1-yl]acetyl]amino]-3-methyl-thiophene-2-carboxylate CAS Name: 5-[[2-[4-(4-chloro-2-nitrophenyl)-1-piperazinyl]-1-oxoethyl]amino]-3-methyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[[2-[4-(4-chloro-2-nitrophenyl)piperazin-1-yl]acetyl]amino]-3-methylthiophene-2-carboxylate Traditional Name: 5-[[2-[4-(4-chloro-2-nitro-phenyl)piperazino]acetyl]amino]-3-methyl-thiophene-2-carboxylic acid ethyl ester Formula: C20H23ClN4O5S MolecularWeight: 466.93842

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23ClN4O5S/c1-3-30-20(27)19-13(2)10-18(31-19)22-17(26)12-23-6-8-24(9-7-23)15-5-4-14(21)11-16(15)25(28)29/h4-5,10-11H,3,6-9,12H2,1-2H3,(H,22,26)