methyl 2-[2-[6-bromanyl-3-(2-methylpropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoylamino]ethanoate

Systemtic Name: methyl 2-[2-[6-bromanyl-3-(2-methylpropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoylamino]ethanoate Openeye Name: methyl 2-[[2-(6-bromo-3-isobutyl-4-oxo-quinazolin-2-yl)sulfanylacetyl]amino]acetate CAS Name: 2-[[2-[[6-bromo-3-(2-methylpropyl)-4-oxo-2-quinazolinyl]thio]-1-oxoethyl]amino]acetic acid methyl ester IUPAC Name: methyl 2-[[2-[6-bromo-3-(2-methylpropyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]amino]acetate Traditional Name: 2-[[2-[(6-bromo-3-isobutyl-4-keto-quinazolin-2-yl)thio]acetyl]amino]acetic acid methyl ester Formula: C17H20BrN3O4S MolecularWeight: 442.3274

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=O)C2=C(C=CC(=C2)Br)N=C1SCC(=O)NCC(=O)OC

Isomeric SMILES

CC(C)CN1C(=O)C2=C(C=CC(=C2)Br)N=C1SCC(=O)NCC(=O)OC

InChI

InChI=1S/C17H20BrN3O4S/c1-10(2)8-21-16(24)12-6-11(18)4-5-13(12)20-17(21)26-9-14(22)19-7-15(23)25-3/h4-6,10H,7-9H2,1-3H3,(H,19,22)