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

Systemtic Name: ethyl 1-[2-(3-cyclopropyl-4-oxidanylidene-quinazolin-2-yl)sulfanylpropanoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[2-(3-cyclopropyl-4-oxo-quinazolin-2-yl)sulfanylpropanoyl]piperidine-4-carboxylate CAS Name: 1-[2-[(3-cyclopropyl-4-oxo-2-quinazolinyl)thio]-1-oxopropyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanylpropanoyl]piperidine-4-carboxylate Traditional Name: 1-[2-[(3-cyclopropyl-4-keto-quinazolin-2-yl)thio]propanoyl]isonipecotic acid ethyl ester Formula: C22H27N3O4S MolecularWeight: 429.53248

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)C(C)SC2=NC3=CC=CC=C3C(=O)N2C4CC4

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)C(C)SC2=NC3=CC=CC=C3C(=O)N2C4CC4

InChI

InChI=1S/C22H27N3O4S/c1-3-29-21(28)15-10-12-24(13-11-15)19(26)14(2)30-22-23-18-7-5-4-6-17(18)20(27)25(22)16-8-9-16/h4-7,14-16H,3,8-13H2,1-2H3