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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)C(C)SC2=NC3=CC=CC=C3C(=O)N2CC=C

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)C(C)SC2=NC3=CC=CC=C3C(=O)N2CC=C

InChI

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