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

Systemtic Name: ethyl 1-[2-(4-oxidanylidene-3-propan-2-yl-quinazolin-2-yl)sulfanylethanoyl]piperidine-4-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C21H27N3O4S MolecularWeight: 417.52178

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2C(C)C

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2C(C)C

InChI

InChI=1S/C21H27N3O4S/c1-4-28-20(27)15-9-11-23(12-10-15)18(25)13-29-21-22-17-8-6-5-7-16(17)19(26)24(21)14(2)3/h5-8,14-15H,4,9-13H2,1-3H3