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

Systemtic Name: methyl 2-[[2-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]phenyl]carbonylamino]-5-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[2-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]benzoyl]amino]-5-methyl-thiophene-3-carboxylate CAS Name: 2-[[[2-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]phenyl]-oxomethyl]amino]-5-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[2-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]benzoyl]amino]-5-methylthiophene-3-carboxylate Traditional Name: 2-[[2-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]benzoyl]amino]-5-methyl-thiophene-3-carboxylic acid methyl ester Formula: C20H20N4O5S MolecularWeight: 428.4616

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)NC(=O)C2=CC=CC=C2CN3C(=C(C(=N3)C)[N+](=O)[O-])C)C(=O)OC

Isomeric SMILES

CC1=CC(=C(S1)NC(=O)C2=CC=CC=C2CN3C(=C(C(=N3)C)[N+](=O)[O-])C)C(=O)OC

InChI

InChI=1S/C20H20N4O5S/c1-11-9-16(20(26)29-4)19(30-11)21-18(25)15-8-6-5-7-14(15)10-23-13(3)17(24(27)28)12(2)22-23/h5-9H,10H2,1-4H3,(H,21,25)