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

Systemtic Name: ethyl 2-[(1-ethanoylpiperidin-4-yl)carbonylamino]-5-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[(1-acetylpiperidine-4-carbonyl)amino]-5-phenyl-thiophene-3-carboxylate CAS Name: 2-[[(1-acetyl-4-piperidinyl)-oxomethyl]amino]-5-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(1-acetylpiperidine-4-carbonyl)amino]-5-phenylthiophene-3-carboxylate Traditional Name: 2-[(1-acetylisonipecotoyl)amino]-5-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C21H24N2O4S MolecularWeight: 400.49126

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=O)C3CCN(CC3)C(=O)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=O)C3CCN(CC3)C(=O)C

InChI

InChI=1S/C21H24N2O4S/c1-3-27-21(26)17-13-18(15-7-5-4-6-8-15)28-20(17)22-19(25)16-9-11-23(12-10-16)14(2)24/h4-8,13,16H,3,9-12H2,1-2H3,(H,22,25)