(5-methyl-1,3,4-oxadiazol-2-yl)methyl 1-(4-methylphenyl)-6-oxidanylidene-2-thiophen-2-yl-piperidine-3-carboxylate

Systemtic Name: (5-methyl-1,3,4-oxadiazol-2-yl)methyl 1-(4-methylphenyl)-6-oxidanylidene-2-thiophen-2-yl-piperidine-3-carboxylate Openeye Name: (5-methyl-1,3,4-oxadiazol-2-yl)methyl 6-oxo-1-(p-tolyl)-2-(2-thienyl)piperidine-3-carboxylate CAS Name: 1-(4-methylphenyl)-6-oxo-2-thiophen-2-yl-3-piperidinecarboxylic acid (5-methyl-1,3,4-oxadiazol-2-yl)methyl ester IUPAC Name: (5-methyl-1,3,4-oxadiazol-2-yl)methyl 1-(4-methylphenyl)-6-oxo-2-thiophen-2-ylpiperidine-3-carboxylate Traditional Name: 6-keto-1-(p-tolyl)-2-(2-thienyl)nipecotic acid (5-methyl-1,3,4-oxadiazol-2-yl)methyl ester Formula: C21H21N3O4S MolecularWeight: 411.47414

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(C(CCC2=O)C(=O)OCC3=NN=C(O3)C)C4=CC=CS4

Isomeric SMILES

CC1=CC=C(C=C1)N2C(C(CCC2=O)C(=O)OCC3=NN=C(O3)C)C4=CC=CS4

InChI

InChI=1S/C21H21N3O4S/c1-13-5-7-15(8-6-13)24-19(25)10-9-16(20(24)17-4-3-11-29-17)21(26)27-12-18-23-22-14(2)28-18/h3-8,11,16,20H,9-10,12H2,1-2H3