propyl 5-(dimethylcarbamoyl)-4-methyl-2-[3-(3-methyl-4-nitro-pyrazol-1-yl)propanoylamino]thiophene-3-carboxylate

Systemtic Name: propyl 5-(dimethylcarbamoyl)-4-methyl-2-[3-(3-methyl-4-nitro-pyrazol-1-yl)propanoylamino]thiophene-3-carboxylate Openeye Name: propyl 5-(dimethylcarbamoyl)-4-methyl-2-[3-(3-methyl-4-nitro-pyrazol-1-yl)propanoylamino]thiophene-3-carboxylate CAS Name: 5-[dimethylamino(oxo)methyl]-4-methyl-2-[[3-(3-methyl-4-nitro-1-pyrazolyl)-1-oxopropyl]amino]-3-thiophenecarboxylic acid propyl ester IUPAC Name: propyl 5-(dimethylcarbamoyl)-4-methyl-2-[3-(3-methyl-4-nitropyrazol-1-yl)propanoylamino]thiophene-3-carboxylate Traditional Name: 5-(dimethylcarbamoyl)-4-methyl-2-[3-(3-methyl-4-nitro-pyrazol-1-yl)propanoylamino]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)CCN2C=C(C(=N2)C)[N+](=O)[O-]

Isomeric SMILES

CCCOC(=O)C1=C(SC(=C1C)C(=O)N(C)C)NC(=O)CCN2C=C(C(=N2)C)[N+](=O)[O-]

InChI

InChI=1S/C19H25N5O6S/c1-6-9-30-19(27)15-11(2)16(18(26)22(4)5)31-17(15)20-14(25)7-8-23-10-13(24(28)29)12(3)21-23/h10H,6-9H2,1-5H3,(H,20,25)