methyl 3-[[3-methyl-1-(4-methylphenyl)-5-pyrrol-1-yl-pyrazol-4-yl]carbonylamino]thiophene-2-carboxylate

Systemtic Name: methyl 3-[[3-methyl-1-(4-methylphenyl)-5-pyrrol-1-yl-pyrazol-4-yl]carbonylamino]thiophene-2-carboxylate Openeye Name: methyl 3-[[3-methyl-1-(p-tolyl)-5-pyrrol-1-yl-pyrazole-4-carbonyl]amino]thiophene-2-carboxylate CAS Name: 3-[[[3-methyl-1-(4-methylphenyl)-5-(1-pyrrolyl)-4-pyrazolyl]-oxomethyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[[3-methyl-1-(4-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carbonyl]amino]thiophene-2-carboxylate Traditional Name: 3-[[3-methyl-1-(p-tolyl)-5-pyrrol-1-yl-pyrazole-4-carbonyl]amino]thiophene-2-carboxylic acid methyl ester Formula: C22H20N4O3S MolecularWeight: 420.4842

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=C(C(=N2)C)C(=O)NC3=C(SC=C3)C(=O)OC)N4C=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=C(C(=N2)C)C(=O)NC3=C(SC=C3)C(=O)OC)N4C=CC=C4

InChI

InChI=1S/C22H20N4O3S/c1-14-6-8-16(9-7-14)26-21(25-11-4-5-12-25)18(15(2)24-26)20(27)23-17-10-13-30-19(17)22(28)29-3/h4-13H,1-3H3,(H,23,27)