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

Systemtic Name: methyl 3-[(7-chloranyl-4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanylmethyl]furan-2-carboxylate Openeye Name: methyl 3-[(3-allyl-7-chloro-4-oxo-quinazolin-2-yl)sulfanylmethyl]furan-2-carboxylate CAS Name: 3-[[(7-chloro-4-oxo-3-prop-2-enyl-2-quinazolinyl)thio]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 3-[(7-chloro-4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanylmethyl]furan-2-carboxylate Traditional Name: 3-[[(3-allyl-7-chloro-4-keto-quinazolin-2-yl)thio]methyl]furan-2-carboxylic acid methyl ester Formula: C18H15ClN2O4S MolecularWeight: 390.8407

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CO1)CSC2=NC3=C(C=CC(=C3)Cl)C(=O)N2CC=C

Isomeric SMILES

COC(=O)C1=C(C=CO1)CSC2=NC3=C(C=CC(=C3)Cl)C(=O)N2CC=C

InChI

InChI=1S/C18H15ClN2O4S/c1-3-7-21-16(22)13-5-4-12(19)9-14(13)20-18(21)26-10-11-6-8-25-15(11)17(23)24-2/h3-6,8-9H,1,7,10H2,2H3