methyl 2-(7-chloranyl-4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanylethanoate

Systemtic Name: methyl 2-(7-chloranyl-4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanylethanoate Openeye Name: methyl 2-(3-allyl-7-chloro-4-oxo-quinazolin-2-yl)sulfanylacetate CAS Name: 2-[(7-chloro-4-oxo-3-prop-2-enyl-2-quinazolinyl)thio]acetic acid methyl ester IUPAC Name: methyl 2-(7-chloro-4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanylacetate Traditional Name: 2-[(3-allyl-7-chloro-4-keto-quinazolin-2-yl)thio]acetic acid methyl ester Formula: C14H13ClN2O3S MolecularWeight: 324.78262

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CSC1=NC2=C(C=CC(=C2)Cl)C(=O)N1CC=C

Isomeric SMILES

COC(=O)CSC1=NC2=C(C=CC(=C2)Cl)C(=O)N1CC=C

InChI

InChI=1S/C14H13ClN2O3S/c1-3-6-17-13(19)10-5-4-9(15)7-11(10)16-14(17)21-8-12(18)20-2/h3-5,7H,1,6,8H2,2H3