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

Systemtic Name: methyl 3-[[1-(4-methylphenyl)-5-pyrrol-1-yl-pyrazol-4-yl]carbonylamino]thiophene-2-carboxylate Openeye Name: methyl 3-[[1-(p-tolyl)-5-pyrrol-1-yl-pyrazole-4-carbonyl]amino]thiophene-2-carboxylate CAS Name: 3-[[[1-(4-methylphenyl)-5-(1-pyrrolyl)-4-pyrazolyl]-oxomethyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[[1-(4-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carbonyl]amino]thiophene-2-carboxylate Traditional Name: 3-[[1-(p-tolyl)-5-pyrrol-1-yl-pyrazole-4-carbonyl]amino]thiophene-2-carboxylic acid methyl ester Formula: C21H18N4O3S MolecularWeight: 406.45762

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18N4O3S/c1-14-5-7-15(8-6-14)25-20(24-10-3-4-11-24)16(13-22-25)19(26)23-17-9-12-29-18(17)21(27)28-2/h3-13H,1-2H3,(H,23,26)