ethyl 2-[[1-(4-chlorophenyl)carbonylpiperidin-4-yl]carbonylamino]-5-ethyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[[1-(4-chlorophenyl)carbonylpiperidin-4-yl]carbonylamino]-5-ethyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[1-(4-chlorobenzoyl)piperidine-4-carbonyl]amino]-5-ethyl-thiophene-3-carboxylate CAS Name: 2-[[[1-[(4-chlorophenyl)-oxomethyl]-4-piperidinyl]-oxomethyl]amino]-5-ethyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[1-(4-chlorobenzoyl)piperidine-4-carbonyl]amino]-5-ethylthiophene-3-carboxylate Traditional Name: 2-[[1-(4-chlorobenzoyl)isonipecotoyl]amino]-5-ethyl-thiophene-3-carboxylic acid ethyl ester Formula: C22H25ClN2O4S MolecularWeight: 448.9629

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=O)C2CCN(CC2)C(=O)C3=CC=C(C=C3)Cl)C(=O)OCC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=O)C2CCN(CC2)C(=O)C3=CC=C(C=C3)Cl)C(=O)OCC

InChI

InChI=1S/C22H25ClN2O4S/c1-3-17-13-18(22(28)29-4-2)20(30-17)24-19(26)14-9-11-25(12-10-14)21(27)15-5-7-16(23)8-6-15/h5-8,13-14H,3-4,9-12H2,1-2H3,(H,24,26)