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

Systemtic Name: methyl 2-[[4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]phenyl]carbonylamino]-4,5-dimethyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]benzoyl]amino]-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 2-[[[4-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]phenyl]-oxomethyl]amino]-4,5-dimethyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]benzoyl]amino]-4,5-dimethylthiophene-3-carboxylate Traditional Name: 2-[[4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]benzoyl]amino]-4,5-dimethyl-thiophene-3-carboxylic acid methyl ester Formula: C21H22N4O5S MolecularWeight: 442.48818

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=O)C2=CC=C(C=C2)CN3C(=C(C(=N3)C)[N+](=O)[O-])C)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=O)C2=CC=C(C=C2)CN3C(=C(C(=N3)C)[N+](=O)[O-])C)C

InChI

InChI=1S/C21H22N4O5S/c1-11-14(4)31-20(17(11)21(27)30-5)22-19(26)16-8-6-15(7-9-16)10-24-13(3)18(25(28)29)12(2)23-24/h6-9H,10H2,1-5H3,(H,22,26)