tert-butyl 2-[6-bromanyl-3-(2-methoxyethyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoate

Systemtic Name: tert-butyl 2-[6-bromanyl-3-(2-methoxyethyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoate Openeye Name: tert-butyl 2-[6-bromo-3-(2-methoxyethyl)-4-oxo-quinazolin-2-yl]sulfanylacetate CAS Name: 2-[[6-bromo-3-(2-methoxyethyl)-4-oxo-2-quinazolinyl]thio]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[6-bromo-3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanylacetate Traditional Name: 2-[[6-bromo-4-keto-3-(2-methoxyethyl)quinazolin-2-yl]thio]acetic acid tert-butyl ester Formula: C17H21BrN2O4S MolecularWeight: 429.32864

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CSC1=NC2=C(C=C(C=C2)Br)C(=O)N1CCOC

Isomeric SMILES

CC(C)(C)OC(=O)CSC1=NC2=C(C=C(C=C2)Br)C(=O)N1CCOC

InChI

InChI=1S/C17H21BrN2O4S/c1-17(2,3)24-14(21)10-25-16-19-13-6-5-11(18)9-12(13)15(22)20(16)7-8-23-4/h5-6,9H,7-8,10H2,1-4H3