methyl 3-[2-(6-bromanyl-3-ethyl-4-oxidanylidene-quinazolin-2-yl)sulfanylethanoylamino]-4-methyl-benzoate

Systemtic Name: methyl 3-[2-(6-bromanyl-3-ethyl-4-oxidanylidene-quinazolin-2-yl)sulfanylethanoylamino]-4-methyl-benzoate Openeye Name: methyl 3-[[2-(6-bromo-3-ethyl-4-oxo-quinazolin-2-yl)sulfanylacetyl]amino]-4-methyl-benzoate CAS Name: 3-[[2-[(6-bromo-3-ethyl-4-oxo-2-quinazolinyl)thio]-1-oxoethyl]amino]-4-methylbenzoic acid methyl ester IUPAC Name: methyl 3-[[2-(6-bromo-3-ethyl-4-oxoquinazolin-2-yl)sulfanylacetyl]amino]-4-methylbenzoate Traditional Name: 3-[[2-[(6-bromo-3-ethyl-4-keto-quinazolin-2-yl)thio]acetyl]amino]-4-methyl-benzoic acid methyl ester Formula: C21H20BrN3O4S MolecularWeight: 490.3702

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(C=CC(=C2)Br)N=C1SCC(=O)NC3=C(C=CC(=C3)C(=O)OC)C

Isomeric SMILES

CCN1C(=O)C2=C(C=CC(=C2)Br)N=C1SCC(=O)NC3=C(C=CC(=C3)C(=O)OC)C

InChI

InChI=1S/C21H20BrN3O4S/c1-4-25-19(27)15-10-14(22)7-8-16(15)24-21(25)30-11-18(26)23-17-9-13(20(28)29-3)6-5-12(17)2/h5-10H,4,11H2,1-3H3,(H,23,26)