propyl 5-(dimethylcarbamoyl)-2-[[3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-2-methyl-propanoyl]amino]-4-methyl-thiophene-3-carboxylate

Systemtic Name: propyl 5-(dimethylcarbamoyl)-2-[[3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-2-methyl-propanoyl]amino]-4-methyl-thiophene-3-carboxylate Openeye Name: propyl 5-(dimethylcarbamoyl)-2-[[3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-2-methyl-propanoyl]amino]-4-methyl-thiophene-3-carboxylate CAS Name: 5-[dimethylamino(oxo)methyl]-2-[[3-(3,5-dimethyl-4-nitro-1-pyrazolyl)-2-methyl-1-oxopropyl]amino]-4-methyl-3-thiophenecarboxylic acid propyl ester IUPAC Name: propyl 5-(dimethylcarbamoyl)-2-[[3-(3,5-dimethyl-4-nitropyrazol-1-yl)-2-methylpropanoyl]amino]-4-methylthiophene-3-carboxylate Traditional Name: 5-(dimethylcarbamoyl)-2-[[3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-2-methyl-propanoyl]amino]-4-methyl-thiophene-3-carboxylic acid propyl ester Formula: C21H29N5O6S MolecularWeight: 479.54986

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=C(SC(=C1C)C(=O)N(C)C)NC(=O)C(C)CN2C(=C(C(=N2)C)[N+](=O)[O-])C

Isomeric SMILES

CCCOC(=O)C1=C(SC(=C1C)C(=O)N(C)C)NC(=O)C(C)CN2C(=C(C(=N2)C)[N+](=O)[O-])C

InChI

InChI=1S/C21H29N5O6S/c1-8-9-32-21(29)15-12(3)17(20(28)24(6)7)33-19(15)22-18(27)11(2)10-25-14(5)16(26(30)31)13(4)23-25/h11H,8-10H2,1-7H3,(H,22,27)