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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=O)C2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=O)C2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-])C(=O)OC

InChI

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