(8-methyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl 1-thiophen-2-ylcarbonylpiperidine-4-carboxylate

Systemtic Name: (8-methyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl 1-thiophen-2-ylcarbonylpiperidine-4-carboxylate Openeye Name: (8-methyl-4-oxo-1H-quinazolin-2-yl)methyl 1-(thiophene-2-carbonyl)piperidine-4-carboxylate CAS Name: 1-[oxo(thiophen-2-yl)methyl]-4-piperidinecarboxylic acid (8-methyl-4-oxo-1H-quinazolin-2-yl)methyl ester IUPAC Name: (8-methyl-4-oxo-1H-quinazolin-2-yl)methyl 1-(thiophene-2-carbonyl)piperidine-4-carboxylate Traditional Name: 1-(2-thenoyl)isonipecotic acid (4-keto-8-methyl-1H-quinazolin-2-yl)methyl ester Formula: C21H21N3O4S MolecularWeight: 411.47414

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1NC(=NC2=O)COC(=O)C3CCN(CC3)C(=O)C4=CC=CS4

Isomeric SMILES

CC1=CC=CC2=C1NC(=NC2=O)COC(=O)C3CCN(CC3)C(=O)C4=CC=CS4

InChI

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