methyl 2-(2-methylprop-2-enylsulfanyl)-4-oxidanylidene-3-phenethyl-quinazoline-7-carboxylate

Systemtic Name: methyl 2-(2-methylprop-2-enylsulfanyl)-4-oxidanylidene-3-phenethyl-quinazoline-7-carboxylate Openeye Name: methyl 2-(2-methylallylsulfanyl)-4-oxo-3-phenethyl-quinazoline-7-carboxylate CAS Name: 2-(2-methylprop-2-enylthio)-4-oxo-3-phenethyl-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 2-(2-methylprop-2-enylsulfanyl)-4-oxo-3-phenethylquinazoline-7-carboxylate Traditional Name: 4-keto-2-(2-methylallylthio)-3-phenethyl-quinazoline-7-carboxylic acid methyl ester Formula: C22H22N2O3S MolecularWeight: 394.48668

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)CSC1=NC2=C(C=CC(=C2)C(=O)OC)C(=O)N1CCC3=CC=CC=C3

Isomeric SMILES

CC(=C)CSC1=NC2=C(C=CC(=C2)C(=O)OC)C(=O)N1CCC3=CC=CC=C3

InChI

InChI=1S/C22H22N2O3S/c1-15(2)14-28-22-23-19-13-17(21(26)27-3)9-10-18(19)20(25)24(22)12-11-16-7-5-4-6-8-16/h4-10,13H,1,11-12,14H2,2-3H3