methyl 1-[2-(4-oxidanylidene-3-propan-2-yl-quinazolin-2-yl)sulfanylethanoyl]piperidine-4-carboxylate

Systemtic Name: methyl 1-[2-(4-oxidanylidene-3-propan-2-yl-quinazolin-2-yl)sulfanylethanoyl]piperidine-4-carboxylate Openeye Name: methyl 1-[2-(3-isopropyl-4-oxo-quinazolin-2-yl)sulfanylacetyl]piperidine-4-carboxylate CAS Name: 1-[1-oxo-2-[(4-oxo-3-propan-2-yl-2-quinazolinyl)thio]ethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-(4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanylacetyl]piperidine-4-carboxylate Traditional Name: 1-[2-[(3-isopropyl-4-keto-quinazolin-2-yl)thio]acetyl]isonipecotic acid methyl ester Formula: C20H25N3O4S MolecularWeight: 403.4952

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=O)C2=CC=CC=C2N=C1SCC(=O)N3CCC(CC3)C(=O)OC

Isomeric SMILES

CC(C)N1C(=O)C2=CC=CC=C2N=C1SCC(=O)N3CCC(CC3)C(=O)OC

InChI

InChI=1S/C20H25N3O4S/c1-13(2)23-18(25)15-6-4-5-7-16(15)21-20(23)28-12-17(24)22-10-8-14(9-11-22)19(26)27-3/h4-7,13-14H,8-12H2,1-3H3