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

Systemtic Name: ethyl 5-aminocarbonyl-2-[[3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-2-methyl-propanoyl]amino]-4-methyl-thiophene-3-carboxylate Openeye Name: ethyl 5-carbamoyl-2-[[3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-2-methyl-propanoyl]amino]-4-methyl-thiophene-3-carboxylate CAS Name: 5-carbamoyl-2-[[3-(3,5-dimethyl-4-nitro-1-pyrazolyl)-2-methyl-1-oxopropyl]amino]-4-methyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-carbamoyl-2-[[3-(3,5-dimethyl-4-nitropyrazol-1-yl)-2-methylpropanoyl]amino]-4-methylthiophene-3-carboxylate Traditional Name: 5-carbamoyl-2-[[3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-2-methyl-propanoyl]amino]-4-methyl-thiophene-3-carboxylic acid ethyl ester Formula: C18H23N5O6S MolecularWeight: 437.47012

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23N5O6S/c1-6-29-18(26)12-9(3)14(15(19)24)30-17(12)20-16(25)8(2)7-22-11(5)13(23(27)28)10(4)21-22/h8H,6-7H2,1-5H3,(H2,19,24)(H,20,25)