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

Systemtic Name: methyl 5-[[1-(3-phenylpropanoyl)piperidin-4-yl]carbonylamino]thiophene-2-carboxylate Openeye Name: methyl 5-[[1-(3-phenylpropanoyl)piperidine-4-carbonyl]amino]thiophene-2-carboxylate CAS Name: 5-[[oxo-[1-(1-oxo-3-phenylpropyl)-4-piperidinyl]methyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-[[1-(3-phenylpropanoyl)piperidine-4-carbonyl]amino]thiophene-2-carboxylate Traditional Name: 5-[(1-hydrocinnamoylisonipecotoyl)amino]thiophene-2-carboxylic acid methyl ester Formula: C21H24N2O4S MolecularWeight: 400.49126

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(S1)NC(=O)C2CCN(CC2)C(=O)CCC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC=C(S1)NC(=O)C2CCN(CC2)C(=O)CCC3=CC=CC=C3

InChI

InChI=1S/C21H24N2O4S/c1-27-21(26)17-8-9-18(28-17)22-20(25)16-11-13-23(14-12-16)19(24)10-7-15-5-3-2-4-6-15/h2-6,8-9,16H,7,10-14H2,1H3,(H,22,25)