methyl 2-methylsulfanyl-4-oxidanylidene-3-phenethyl-quinazoline-7-carboxylate

Systemtic Name: methyl 2-methylsulfanyl-4-oxidanylidene-3-phenethyl-quinazoline-7-carboxylate Openeye Name: methyl 2-methylsulfanyl-4-oxo-3-phenethyl-quinazoline-7-carboxylate CAS Name: 2-(methylthio)-4-oxo-3-phenethyl-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 2-methylsulfanyl-4-oxo-3-phenethylquinazoline-7-carboxylate Traditional Name: 4-keto-2-(methylthio)-3-phenethyl-quinazoline-7-carboxylic acid methyl ester Formula: C19H18N2O3S MolecularWeight: 354.42282

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SC)CCC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SC)CCC3=CC=CC=C3

InChI

InChI=1S/C19H18N2O3S/c1-24-18(23)14-8-9-15-16(12-14)20-19(25-2)21(17(15)22)11-10-13-6-4-3-5-7-13/h3-9,12H,10-11H2,1-2H3