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

Systemtic Name: ethyl 5-aminocarbonyl-4-methyl-2-[[2-methyl-3-(5-methyl-3-nitro-pyrazol-1-yl)propanoyl]amino]thiophene-3-carboxylate Openeye Name: ethyl 5-carbamoyl-4-methyl-2-[[2-methyl-3-(5-methyl-3-nitro-pyrazol-1-yl)propanoyl]amino]thiophene-3-carboxylate CAS Name: 5-carbamoyl-4-methyl-2-[[2-methyl-3-(5-methyl-3-nitro-1-pyrazolyl)-1-oxopropyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-carbamoyl-4-methyl-2-[[2-methyl-3-(5-methyl-3-nitropyrazol-1-yl)propanoyl]amino]thiophene-3-carboxylate Traditional Name: 5-carbamoyl-4-methyl-2-[[2-methyl-3-(5-methyl-3-nitro-pyrazol-1-yl)propanoyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C17H21N5O6S MolecularWeight: 423.44354

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21N5O6S/c1-5-28-17(25)12-10(4)13(14(18)23)29-16(12)19-15(24)8(2)7-21-9(3)6-11(20-21)22(26)27/h6,8H,5,7H2,1-4H3,(H2,18,23)(H,19,24)