dimethyl 5-[2-(6-bromanyl-4-oxidanylidene-quinazolin-3-yl)ethanoylamino]-3-methyl-thiophene-2,4-dicarboxylate

Systemtic Name: dimethyl 5-[2-(6-bromanyl-4-oxidanylidene-quinazolin-3-yl)ethanoylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: dimethyl 5-[[2-(6-bromo-4-oxo-quinazolin-3-yl)acetyl]amino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[2-(6-bromo-4-oxo-3-quinazolinyl)-1-oxoethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[2-(6-bromo-4-oxoquinazolin-3-yl)acetyl]amino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[[2-(6-bromo-4-keto-quinazolin-3-yl)acetyl]amino]-3-methyl-thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C19H16BrN3O6S MolecularWeight: 494.31584

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=O)CN2C=NC3=C(C2=O)C=C(C=C3)Br)C(=O)OC

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=O)CN2C=NC3=C(C2=O)C=C(C=C3)Br)C(=O)OC

InChI

InChI=1S/C19H16BrN3O6S/c1-9-14(18(26)28-2)16(30-15(9)19(27)29-3)22-13(24)7-23-8-21-12-5-4-10(20)6-11(12)17(23)25/h4-6,8H,7H2,1-3H3,(H,22,24)