methyl 1-(2-oxidanylidene-2-thiophen-2-yl-ethyl)-4-[phenyl(propanoyl)amino]piperidine-4-carboxylate

Systemtic Name: methyl 1-(2-oxidanylidene-2-thiophen-2-yl-ethyl)-4-[phenyl(propanoyl)amino]piperidine-4-carboxylate Openeye Name: methyl 1-[2-oxo-2-(2-thienyl)ethyl]-4-(N-propanoylanilino)piperidine-4-carboxylate CAS Name: 4-[N-(1-oxopropyl)anilino]-1-(2-oxo-2-thiophen-2-ylethyl)-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-(2-oxo-2-thiophen-2-ylethyl)-4-(N-propanoylanilino)piperidine-4-carboxylate Traditional Name: 1-[2-keto-2-(2-thienyl)ethyl]-4-(N-propionylanilino)isonipecotic acid methyl ester Formula: C22H26N2O4S MolecularWeight: 414.51784

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N(C1=CC=CC=C1)C2(CCN(CC2)CC(=O)C3=CC=CS3)C(=O)OC

Isomeric SMILES

CCC(=O)N(C1=CC=CC=C1)C2(CCN(CC2)CC(=O)C3=CC=CS3)C(=O)OC

InChI

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