ethyl 2-[(2-azanylidene-6-nitro-chromen-3-yl)carbonylamino]-5-(dimethylcarbamoyl)-4-methyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[(2-azanylidene-6-nitro-chromen-3-yl)carbonylamino]-5-(dimethylcarbamoyl)-4-methyl-thiophene-3-carboxylate Openeye Name: ethyl 5-(dimethylcarbamoyl)-2-[(2-imino-6-nitro-chromene-3-carbonyl)amino]-4-methyl-thiophene-3-carboxylate CAS Name: 5-[dimethylamino(oxo)methyl]-2-[[(2-imino-6-nitro-1-benzopyran-3-yl)-oxomethyl]amino]-4-methyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(dimethylcarbamoyl)-2-[(2-imino-6-nitrochromene-3-carbonyl)amino]-4-methylthiophene-3-carboxylate Traditional Name: 5-(dimethylcarbamoyl)-2-[(2-imino-6-nitro-chromene-3-carbonyl)amino]-4-methyl-thiophene-3-carboxylic acid ethyl ester Formula: C21H20N4O7S MolecularWeight: 472.4711

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)N(C)C)NC(=O)C2=CC3=C(C=CC(=C3)[N+](=O)[O-])OC2=N

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)N(C)C)NC(=O)C2=CC3=C(C=CC(=C3)[N+](=O)[O-])OC2=N

InChI

InChI=1S/C21H20N4O7S/c1-5-31-21(28)15-10(2)16(20(27)24(3)4)33-19(15)23-18(26)13-9-11-8-12(25(29)30)6-7-14(11)32-17(13)22/h6-9,22H,5H2,1-4H3,(H,23,26)