methyl 4,5-dimethyl-2-[[1-(2-nitrophenyl)piperidin-4-yl]carbonylamino]thiophene-3-carboxylate

Systemtic Name: methyl 4,5-dimethyl-2-[[1-(2-nitrophenyl)piperidin-4-yl]carbonylamino]thiophene-3-carboxylate Openeye Name: methyl 4,5-dimethyl-2-[[1-(2-nitrophenyl)piperidine-4-carbonyl]amino]thiophene-3-carboxylate CAS Name: 4,5-dimethyl-2-[[[1-(2-nitrophenyl)-4-piperidinyl]-oxomethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4,5-dimethyl-2-[[1-(2-nitrophenyl)piperidine-4-carbonyl]amino]thiophene-3-carboxylate Traditional Name: 4,5-dimethyl-2-[[1-(2-nitrophenyl)isonipecotoyl]amino]thiophene-3-carboxylic acid methyl ester Formula: C20H23N3O5S MolecularWeight: 417.47872

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=O)C2CCN(CC2)C3=CC=CC=C3[N+](=O)[O-])C

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=O)C2CCN(CC2)C3=CC=CC=C3[N+](=O)[O-])C

InChI

InChI=1S/C20H23N3O5S/c1-12-13(2)29-19(17(12)20(25)28-3)21-18(24)14-8-10-22(11-9-14)15-6-4-5-7-16(15)23(26)27/h4-7,14H,8-11H2,1-3H3,(H,21,24)