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

Systemtic Name: methyl 3-[(4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanylmethyl]benzoate Openeye Name: methyl 3-[(3-allyl-4-oxo-quinazolin-2-yl)sulfanylmethyl]benzoate CAS Name: 3-[[(4-oxo-3-prop-2-enyl-2-quinazolinyl)thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[(4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanylmethyl]benzoate Traditional Name: 3-[[(3-allyl-4-keto-quinazolin-2-yl)thio]methyl]benzoic acid methyl ester Formula: C20H18N2O3S MolecularWeight: 366.43352

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)CSC2=NC3=CC=CC=C3C(=O)N2CC=C

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)CSC2=NC3=CC=CC=C3C(=O)N2CC=C

InChI

InChI=1S/C20H18N2O3S/c1-3-11-22-18(23)16-9-4-5-10-17(16)21-20(22)26-13-14-7-6-8-15(12-14)19(24)25-2/h3-10,12H,1,11,13H2,2H3