propyl 5-(dimethylcarbamoyl)-4-methyl-2-[2-(4-nitropyrazol-1-yl)butanoylamino]thiophene-3-carboxylate

Systemtic Name: propyl 5-(dimethylcarbamoyl)-4-methyl-2-[2-(4-nitropyrazol-1-yl)butanoylamino]thiophene-3-carboxylate Openeye Name: propyl 5-(dimethylcarbamoyl)-4-methyl-2-[2-(4-nitropyrazol-1-yl)butanoylamino]thiophene-3-carboxylate CAS Name: 5-[dimethylamino(oxo)methyl]-4-methyl-2-[[2-(4-nitro-1-pyrazolyl)-1-oxobutyl]amino]-3-thiophenecarboxylic acid propyl ester IUPAC Name: propyl 5-(dimethylcarbamoyl)-4-methyl-2-[2-(4-nitropyrazol-1-yl)butanoylamino]thiophene-3-carboxylate Traditional Name: 5-(dimethylcarbamoyl)-4-methyl-2-[2-(4-nitropyrazol-1-yl)butanoylamino]thiophene-3-carboxylic acid propyl ester Formula: C19H25N5O6S MolecularWeight: 451.4967

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=C(SC(=C1C)C(=O)N(C)C)NC(=O)C(CC)N2C=C(C=N2)[N+](=O)[O-]

Isomeric SMILES

CCCOC(=O)C1=C(SC(=C1C)C(=O)N(C)C)NC(=O)C(CC)N2C=C(C=N2)[N+](=O)[O-]

InChI

InChI=1S/C19H25N5O6S/c1-6-8-30-19(27)14-11(3)15(18(26)22(4)5)31-17(14)21-16(25)13(7-2)23-10-12(9-20-23)24(28)29/h9-10,13H,6-8H2,1-5H3,(H,21,25)