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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)C2=CC(=C(S2)NC(=O)C3CCN(CC3)C(=O)C)C(=O)OC

Isomeric SMILES

CC(C1=CC=CC=C1)C2=CC(=C(S2)NC(=O)C3CCN(CC3)C(=O)C)C(=O)OC

InChI

InChI=1S/C22H26N2O4S/c1-14(16-7-5-4-6-8-16)19-13-18(22(27)28-3)21(29-19)23-20(26)17-9-11-24(12-10-17)15(2)25/h4-8,13-14,17H,9-12H2,1-3H3,(H,23,26)