methyl 4-(3,4-dimethylphenyl)-5-methyl-2-(pyridin-4-ylcarbonylamino)thiophene-3-carboxylate

Systemtic Name: methyl 4-(3,4-dimethylphenyl)-5-methyl-2-(pyridin-4-ylcarbonylamino)thiophene-3-carboxylate Openeye Name: methyl 4-(3,4-dimethylphenyl)-5-methyl-2-(pyridine-4-carbonylamino)thiophene-3-carboxylate CAS Name: 4-(3,4-dimethylphenyl)-5-methyl-2-[[oxo(pyridin-4-yl)methyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-(3,4-dimethylphenyl)-5-methyl-2-(pyridine-4-carbonylamino)thiophene-3-carboxylate Traditional Name: 4-(3,4-dimethylphenyl)-2-isonicotinamido-5-methyl-thiophene-3-carboxylic acid methyl ester Formula: C21H20N2O3S MolecularWeight: 380.4601

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=C(SC(=C2C(=O)OC)NC(=O)C3=CC=NC=C3)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=C(SC(=C2C(=O)OC)NC(=O)C3=CC=NC=C3)C)C

InChI

InChI=1S/C21H20N2O3S/c1-12-5-6-16(11-13(12)2)17-14(3)27-20(18(17)21(25)26-4)23-19(24)15-7-9-22-10-8-15/h5-11H,1-4H3,(H,23,24)