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

Systemtic Name: propyl 5-(dimethylcarbamoyl)-4-methyl-2-[3-(3-nitropyrazol-1-yl)propanoylamino]thiophene-3-carboxylate Openeye Name: propyl 5-(dimethylcarbamoyl)-4-methyl-2-[3-(3-nitropyrazol-1-yl)propanoylamino]thiophene-3-carboxylate CAS Name: 5-[dimethylamino(oxo)methyl]-4-methyl-2-[[3-(3-nitro-1-pyrazolyl)-1-oxopropyl]amino]-3-thiophenecarboxylic acid propyl ester IUPAC Name: propyl 5-(dimethylcarbamoyl)-4-methyl-2-[3-(3-nitropyrazol-1-yl)propanoylamino]thiophene-3-carboxylate Traditional Name: 5-(dimethylcarbamoyl)-4-methyl-2-[3-(3-nitropyrazol-1-yl)propanoylamino]thiophene-3-carboxylic acid propyl ester Formula: C18H23N5O6S MolecularWeight: 437.47012

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23N5O6S/c1-5-10-29-18(26)14-11(2)15(17(25)21(3)4)30-16(14)19-13(24)7-9-22-8-6-12(20-22)23(27)28/h6,8H,5,7,9-10H2,1-4H3,(H,19,24)