methyl 4-(4-tert-butylphenyl)-2-(pyridin-4-ylcarbonylamino)thiophene-3-carboxylate

Systemtic Name: methyl 4-(4-tert-butylphenyl)-2-(pyridin-4-ylcarbonylamino)thiophene-3-carboxylate Openeye Name: methyl 4-(4-tert-butylphenyl)-2-(pyridine-4-carbonylamino)thiophene-3-carboxylate CAS Name: 4-(4-tert-butylphenyl)-2-[[oxo(pyridin-4-yl)methyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-(4-tert-butylphenyl)-2-(pyridine-4-carbonylamino)thiophene-3-carboxylate Traditional Name: 4-(4-tert-butylphenyl)-2-isonicotinamido-thiophene-3-carboxylic acid methyl ester Formula: C22H22N2O3S MolecularWeight: 394.48668

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=CSC(=C2C(=O)OC)NC(=O)C3=CC=NC=C3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=CSC(=C2C(=O)OC)NC(=O)C3=CC=NC=C3

InChI

InChI=1S/C22H22N2O3S/c1-22(2,3)16-7-5-14(6-8-16)17-13-28-20(18(17)21(26)27-4)24-19(25)15-9-11-23-12-10-15/h5-13H,1-4H3,(H,24,25)