methyl 4-(2-chlorophenyl)-2-[2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanoylamino]thiophene-3-carboxylate

Systemtic Name: methyl 4-(2-chlorophenyl)-2-[2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanoylamino]thiophene-3-carboxylate Openeye Name: methyl 4-(2-chlorophenyl)-2-[[2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetyl]amino]thiophene-3-carboxylate CAS Name: 4-(2-chlorophenyl)-2-[[2-(3,5-dimethyl-4-nitro-1-pyrazolyl)-1-oxoethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-(2-chlorophenyl)-2-[[2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetyl]amino]thiophene-3-carboxylate Traditional Name: 4-(2-chlorophenyl)-2-[[2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetyl]amino]thiophene-3-carboxylic acid methyl ester Formula: C19H17ClN4O5S MolecularWeight: 448.88008

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(=O)NC2=C(C(=CS2)C3=CC=CC=C3Cl)C(=O)OC)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC(=O)NC2=C(C(=CS2)C3=CC=CC=C3Cl)C(=O)OC)C)[N+](=O)[O-]

InChI

InChI=1S/C19H17ClN4O5S/c1-10-17(24(27)28)11(2)23(22-10)8-15(25)21-18-16(19(26)29-3)13(9-30-18)12-6-4-5-7-14(12)20/h4-7,9H,8H2,1-3H3,(H,21,25)