ethyl 5-ethyl-4-methyl-2-[2-(6-nitro-4-oxidanylidene-quinazolin-3-yl)ethanoylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 5-ethyl-4-methyl-2-[2-(6-nitro-4-oxidanylidene-quinazolin-3-yl)ethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 5-ethyl-4-methyl-2-[[2-(6-nitro-4-oxo-quinazolin-3-yl)acetyl]amino]thiophene-3-carboxylate CAS Name: 5-ethyl-4-methyl-2-[[2-(6-nitro-4-oxo-3-quinazolinyl)-1-oxoethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-ethyl-4-methyl-2-[[2-(6-nitro-4-oxoquinazolin-3-yl)acetyl]amino]thiophene-3-carboxylate Traditional Name: 5-ethyl-2-[[2-(4-keto-6-nitro-quinazolin-3-yl)acetyl]amino]-4-methyl-thiophene-3-carboxylic acid ethyl ester Formula: C20H20N4O6S MolecularWeight: 444.461

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C(S1)NC(=O)CN2C=NC3=C(C2=O)C=C(C=C3)[N+](=O)[O-])C(=O)OCC)C

Isomeric SMILES

CCC1=C(C(=C(S1)NC(=O)CN2C=NC3=C(C2=O)C=C(C=C3)[N+](=O)[O-])C(=O)OCC)C

InChI

InChI=1S/C20H20N4O6S/c1-4-15-11(3)17(20(27)30-5-2)18(31-15)22-16(25)9-23-10-21-14-7-6-12(24(28)29)8-13(14)19(23)26/h6-8,10H,4-5,9H2,1-3H3,(H,22,25)