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

Systemtic Name: ethyl 3-(2-bromophenyl)-5,7-dimethyl-4-oxidanylidene-2-(sulfanylmethyl)quinazoline-6-carboxylate Openeye Name: ethyl 3-(2-bromophenyl)-5,7-dimethyl-4-oxo-2-(sulfanylmethyl)quinazoline-6-carboxylate CAS Name: 3-(2-bromophenyl)-2-(mercaptomethyl)-5,7-dimethyl-4-oxo-6-quinazolinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-(2-bromophenyl)-5,7-dimethyl-4-oxo-2-(sulfanylmethyl)quinazoline-6-carboxylate Traditional Name: 3-(2-bromophenyl)-4-keto-2-(mercaptomethyl)-5,7-dimethyl-quinazoline-6-carboxylic acid ethyl ester Formula: C20H19BrN2O3S MolecularWeight: 447.34546

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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=C3Br)CS)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(C=C1C)N=C(N(C2=O)C3=CC=CC=C3Br)CS)C

InChI

InChI=1S/C20H19BrN2O3S/c1-4-26-20(25)17-11(2)9-14-18(12(17)3)19(24)23(16(10-27)22-14)15-8-6-5-7-13(15)21/h5-9,27H,4,10H2,1-3H3