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

Systemtic Name: methyl 2-[(1-ethanoylpiperidin-4-yl)carbonylamino]-5-ethyl-4-phenyl-thiophene-3-carboxylate Openeye Name: methyl 2-[(1-acetylpiperidine-4-carbonyl)amino]-5-ethyl-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[(1-acetyl-4-piperidinyl)-oxomethyl]amino]-5-ethyl-4-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[(1-acetylpiperidine-4-carbonyl)amino]-5-ethyl-4-phenylthiophene-3-carboxylate Traditional Name: 2-[(1-acetylisonipecotoyl)amino]-5-ethyl-4-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C22H26N2O4S MolecularWeight: 414.51784

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N2O4S/c1-4-17-18(15-8-6-5-7-9-15)19(22(27)28-3)21(29-17)23-20(26)16-10-12-24(13-11-16)14(2)25/h5-9,16H,4,10-13H2,1-3H3,(H,23,26)