methyl 4-oxidanylidene-3-phenethyl-2-prop-2-enylsulfanyl-quinazoline-7-carboxylate

Systemtic Name: methyl 4-oxidanylidene-3-phenethyl-2-prop-2-enylsulfanyl-quinazoline-7-carboxylate Openeye Name: methyl 2-allylsulfanyl-4-oxo-3-phenethyl-quinazoline-7-carboxylate CAS Name: 4-oxo-3-phenethyl-2-(prop-2-enylthio)-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 4-oxo-3-phenethyl-2-prop-2-enylsulfanylquinazoline-7-carboxylate Traditional Name: 2-(allylthio)-4-keto-3-phenethyl-quinazoline-7-carboxylic acid methyl ester Formula: C21H20N2O3S MolecularWeight: 380.4601

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20N2O3S/c1-3-13-27-21-22-18-14-16(20(25)26-2)9-10-17(18)19(24)23(21)12-11-15-7-5-4-6-8-15/h3-10,14H,1,11-13H2,2H3