methyl 4-[(7-chloranyl-4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanylmethyl]benzoate

Systemtic Name: methyl 4-[(7-chloranyl-4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanylmethyl]benzoate Openeye Name: methyl 4-[(3-allyl-7-chloro-4-oxo-quinazolin-2-yl)sulfanylmethyl]benzoate CAS Name: 4-[[(7-chloro-4-oxo-3-prop-2-enyl-2-quinazolinyl)thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(7-chloro-4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanylmethyl]benzoate Traditional Name: 4-[[(3-allyl-7-chloro-4-keto-quinazolin-2-yl)thio]methyl]benzoic acid methyl ester Formula: C20H17ClN2O3S MolecularWeight: 400.87858

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17ClN2O3S/c1-3-10-23-18(24)16-9-8-15(21)11-17(16)22-20(23)27-12-13-4-6-14(7-5-13)19(25)26-2/h3-9,11H,1,10,12H2,2H3