[(1R)-1-(4-oxidanylidene-1H-quinazolin-2-yl)ethyl] 1-thiophen-2-ylcarbonylpiperidine-4-carboxylate

Systemtic Name: [(1R)-1-(4-oxidanylidene-1H-quinazolin-2-yl)ethyl] 1-thiophen-2-ylcarbonylpiperidine-4-carboxylate Openeye Name: [(1R)-1-(4-oxo-1H-quinazolin-2-yl)ethyl] 1-(thiophene-2-carbonyl)piperidine-4-carboxylate CAS Name: 1-[oxo(thiophen-2-yl)methyl]-4-piperidinecarboxylic acid [(1R)-1-(4-oxo-1H-quinazolin-2-yl)ethyl] ester IUPAC Name: [(1R)-1-(4-oxo-1H-quinazolin-2-yl)ethyl] 1-(thiophene-2-carbonyl)piperidine-4-carboxylate Traditional Name: 1-(2-thenoyl)isonipecotic acid [(1R)-1-(4-keto-1H-quinazolin-2-yl)ethyl] ester Formula: C21H21N3O4S MolecularWeight: 411.47414

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC(=O)C2=CC=CC=C2N1)OC(=O)C3CCN(CC3)C(=O)C4=CC=CS4

Isomeric SMILES

C[C@H](C1=NC(=O)C2=CC=CC=C2N1)OC(=O)C3CCN(CC3)C(=O)C4=CC=CS4

InChI

InChI=1S/C21H21N3O4S/c1-13(18-22-16-6-3-2-5-15(16)19(25)23-18)28-21(27)14-8-10-24(11-9-14)20(26)17-7-4-12-29-17/h2-7,12-14H,8-11H2,1H3,(H,22,23,25)/t13-/m1/s1