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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C2=CSC(=C2C(=O)OC)NC(=O)C3=CN=CC=C3

Isomeric SMILES

CCCCC1=CC=C(C=C1)C2=CSC(=C2C(=O)OC)NC(=O)C3=CN=CC=C3

InChI

InChI=1S/C22H22N2O3S/c1-3-4-6-15-8-10-16(11-9-15)18-14-28-21(19(18)22(26)27-2)24-20(25)17-7-5-12-23-13-17/h5,7-14H,3-4,6H2,1-2H3,(H,24,25)