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

Systemtic Name: ethyl 5-(dimethylcarbamoyl)-4-methyl-2-[2-(6-nitro-4-oxidanylidene-quinazolin-3-yl)ethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 5-(dimethylcarbamoyl)-4-methyl-2-[[2-(6-nitro-4-oxo-quinazolin-3-yl)acetyl]amino]thiophene-3-carboxylate CAS Name: 5-[dimethylamino(oxo)methyl]-4-methyl-2-[[2-(6-nitro-4-oxo-3-quinazolinyl)-1-oxoethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(dimethylcarbamoyl)-4-methyl-2-[[2-(6-nitro-4-oxoquinazolin-3-yl)acetyl]amino]thiophene-3-carboxylate Traditional Name: 5-(dimethylcarbamoyl)-2-[[2-(4-keto-6-nitro-quinazolin-3-yl)acetyl]amino]-4-methyl-thiophene-3-carboxylic acid ethyl ester Formula: C21H21N5O7S MolecularWeight: 487.48574

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)N(C)C)NC(=O)CN2C=NC3=C(C2=O)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)N(C)C)NC(=O)CN2C=NC3=C(C2=O)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H21N5O7S/c1-5-33-21(30)16-11(2)17(20(29)24(3)4)34-18(16)23-15(27)9-25-10-22-14-7-6-12(26(31)32)8-13(14)19(25)28/h6-8,10H,5,9H2,1-4H3,(H,23,27)