methyl 4-methyl-2-(3-phenylpropanoylamino)-5-piperidin-1-ylcarbonyl-thiophene-3-carboxylate

Systemtic Name: methyl 4-methyl-2-(3-phenylpropanoylamino)-5-piperidin-1-ylcarbonyl-thiophene-3-carboxylate Openeye Name: methyl 4-methyl-2-(3-phenylpropanoylamino)-5-(piperidine-1-carbonyl)thiophene-3-carboxylate CAS Name: 4-methyl-2-[(1-oxo-3-phenylpropyl)amino]-5-[oxo(1-piperidinyl)methyl]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-methyl-2-(3-phenylpropanoylamino)-5-(piperidine-1-carbonyl)thiophene-3-carboxylate Traditional Name: 2-(hydrocinnamoylamino)-4-methyl-5-(piperidine-1-carbonyl)thiophene-3-carboxylic acid methyl ester Formula: C22H26N2O4S MolecularWeight: 414.51784

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=O)CCC2=CC=CC=C2)C(=O)N3CCCCC3

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=O)CCC2=CC=CC=C2)C(=O)N3CCCCC3

InChI

InChI=1S/C22H26N2O4S/c1-15-18(22(27)28-2)20(23-17(25)12-11-16-9-5-3-6-10-16)29-19(15)21(26)24-13-7-4-8-14-24/h3,5-6,9-10H,4,7-8,11-14H2,1-2H3,(H,23,25)