ethyl 5,7-dimethyl-3-(2-methylphenyl)-4-oxidanylidene-2-(sulfanylmethyl)quinazoline-6-carboxylate

Systemtic Name: ethyl 5,7-dimethyl-3-(2-methylphenyl)-4-oxidanylidene-2-(sulfanylmethyl)quinazoline-6-carboxylate Openeye Name: ethyl 5,7-dimethyl-3-(o-tolyl)-4-oxo-2-(sulfanylmethyl)quinazoline-6-carboxylate CAS Name: 2-(mercaptomethyl)-5,7-dimethyl-3-(2-methylphenyl)-4-oxo-6-quinazolinecarboxylic acid ethyl ester IUPAC Name: ethyl 5,7-dimethyl-3-(2-methylphenyl)-4-oxo-2-(sulfanylmethyl)quinazoline-6-carboxylate Traditional Name: 4-keto-2-(mercaptomethyl)-5,7-dimethyl-3-(o-tolyl)quinazoline-6-carboxylic acid ethyl ester Formula: C21H22N2O3S MolecularWeight: 382.47598

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(C=C1C)N=C(N(C2=O)C3=CC=CC=C3C)CS)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(C=C1C)N=C(N(C2=O)C3=CC=CC=C3C)CS)C

InChI

InChI=1S/C21H22N2O3S/c1-5-26-21(25)18-13(3)10-15-19(14(18)4)20(24)23(17(11-27)22-15)16-9-7-6-8-12(16)2/h6-10,27H,5,11H2,1-4H3