ethyl 1-[2-(7-chloranyl-4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanylethanoyl]piperidine-3-carboxylate

Systemtic Name: ethyl 1-[2-(7-chloranyl-4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanylethanoyl]piperidine-3-carboxylate Openeye Name: ethyl 1-[2-(3-allyl-7-chloro-4-oxo-quinazolin-2-yl)sulfanylacetyl]piperidine-3-carboxylate CAS Name: 1-[2-[(7-chloro-4-oxo-3-prop-2-enyl-2-quinazolinyl)thio]-1-oxoethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-(7-chloro-4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanylacetyl]piperidine-3-carboxylate Traditional Name: 1-[2-[(3-allyl-7-chloro-4-keto-quinazolin-2-yl)thio]acetyl]nipecotic acid ethyl ester Formula: C21H24ClN3O4S MolecularWeight: 449.95096

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)CSC2=NC3=C(C=CC(=C3)Cl)C(=O)N2CC=C

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=O)CSC2=NC3=C(C=CC(=C3)Cl)C(=O)N2CC=C

InChI

InChI=1S/C21H24ClN3O4S/c1-3-9-25-19(27)16-8-7-15(22)11-17(16)23-21(25)30-13-18(26)24-10-5-6-14(12-24)20(28)29-4-2/h3,7-8,11,14H,1,4-6,9-10,12-13H2,2H3