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

Systemtic Name: ethyl 1-[2-(4-oxidanylidene-3-propan-2-yl-quinazolin-2-yl)sulfanylpropanoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[2-(3-isopropyl-4-oxo-quinazolin-2-yl)sulfanylpropanoyl]piperidine-4-carboxylate CAS Name: 1-[1-oxo-2-[(4-oxo-3-propan-2-yl-2-quinazolinyl)thio]propyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-(4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanylpropanoyl]piperidine-4-carboxylate Traditional Name: 1-[2-[(3-isopropyl-4-keto-quinazolin-2-yl)thio]propanoyl]isonipecotic acid ethyl ester Formula: C22H29N3O4S MolecularWeight: 431.54836

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)C(C)SC2=NC3=CC=CC=C3C(=O)N2C(C)C

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)C(C)SC2=NC3=CC=CC=C3C(=O)N2C(C)C

InChI

InChI=1S/C22H29N3O4S/c1-5-29-21(28)16-10-12-24(13-11-16)19(26)15(4)30-22-23-18-9-7-6-8-17(18)20(27)25(22)14(2)3/h6-9,14-16H,5,10-13H2,1-4H3