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

Systemtic Name: methyl 3-[(3-methyl-1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)carbonylamino]thiophene-2-carboxylate Openeye Name: methyl 3-[(3-methyl-1-phenyl-5-pyrrol-1-yl-pyrazole-4-carbonyl)amino]thiophene-2-carboxylate CAS Name: 3-[[[3-methyl-1-phenyl-5-(1-pyrrolyl)-4-pyrazolyl]-oxomethyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[(3-methyl-1-phenyl-5-pyrrol-1-ylpyrazole-4-carbonyl)amino]thiophene-2-carboxylate Traditional Name: 3-[(3-methyl-1-phenyl-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=NN(C(=C1C(=O)NC2=C(SC=C2)C(=O)OC)N3C=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1C(=O)NC2=C(SC=C2)C(=O)OC)N3C=CC=C3)C4=CC=CC=C4

InChI

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