methyl 3-[[5-tert-butyl-2-(phenylmethyl)pyrazol-3-yl]carbonylamino]-5-(4-chlorophenyl)thiophene-2-carboxylate

Systemtic Name: methyl 3-[[5-tert-butyl-2-(phenylmethyl)pyrazol-3-yl]carbonylamino]-5-(4-chlorophenyl)thiophene-2-carboxylate Openeye Name: methyl 3-[(2-benzyl-5-tert-butyl-pyrazole-3-carbonyl)amino]-5-(4-chlorophenyl)thiophene-2-carboxylate CAS Name: 3-[[[5-tert-butyl-2-(phenylmethyl)-3-pyrazolyl]-oxomethyl]amino]-5-(4-chlorophenyl)-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[(2-benzyl-5-tert-butylpyrazole-3-carbonyl)amino]-5-(4-chlorophenyl)thiophene-2-carboxylate Traditional Name: 3-[(2-benzyl-5-tert-butyl-pyrazole-3-carbonyl)amino]-5-(4-chlorophenyl)thiophene-2-carboxylic acid methyl ester Formula: C27H26ClN3O3S MolecularWeight: 508.03164

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(=C1)C(=O)NC2=C(SC(=C2)C3=CC=C(C=C3)Cl)C(=O)OC)CC4=CC=CC=C4

Isomeric SMILES

CC(C)(C)C1=NN(C(=C1)C(=O)NC2=C(SC(=C2)C3=CC=C(C=C3)Cl)C(=O)OC)CC4=CC=CC=C4

InChI

InChI=1S/C27H26ClN3O3S/c1-27(2,3)23-15-21(31(30-23)16-17-8-6-5-7-9-17)25(32)29-20-14-22(35-24(20)26(33)34-4)18-10-12-19(28)13-11-18/h5-15H,16H2,1-4H3,(H,29,32)