ethyl 2-[6-bromanyl-3-(2-methylprop-2-enyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoate

Systemtic Name: ethyl 2-[6-bromanyl-3-(2-methylprop-2-enyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoate Openeye Name: ethyl 2-[6-bromo-3-(2-methylallyl)-4-oxo-quinazolin-2-yl]sulfanylacetate CAS Name: 2-[[6-bromo-3-(2-methylprop-2-enyl)-4-oxo-2-quinazolinyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[6-bromo-3-(2-methylprop-2-enyl)-4-oxoquinazolin-2-yl]sulfanylacetate Traditional Name: 2-[[6-bromo-4-keto-3-(2-methylallyl)quinazolin-2-yl]thio]acetic acid ethyl ester Formula: C16H17BrN2O3S MolecularWeight: 397.28678

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NC2=C(C=C(C=C2)Br)C(=O)N1CC(=C)C

Isomeric SMILES

CCOC(=O)CSC1=NC2=C(C=C(C=C2)Br)C(=O)N1CC(=C)C

InChI

InChI=1S/C16H17BrN2O3S/c1-4-22-14(20)9-23-16-18-13-6-5-11(17)7-12(13)15(21)19(16)8-10(2)3/h5-7H,2,4,8-9H2,1,3H3