methyl 4-(4-methylphenyl)-2-(2-phenoxybutanoylamino)thiophene-3-carboxylate

Systemtic Name: methyl 4-(4-methylphenyl)-2-(2-phenoxybutanoylamino)thiophene-3-carboxylate Openeye Name: methyl 2-(2-phenoxybutanoylamino)-4-(p-tolyl)thiophene-3-carboxylate CAS Name: 4-(4-methylphenyl)-2-[(1-oxo-2-phenoxybutyl)amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-(4-methylphenyl)-2-(2-phenoxybutanoylamino)thiophene-3-carboxylate Traditional Name: 2-(2-phenoxybutanoylamino)-4-(p-tolyl)thiophene-3-carboxylic acid methyl ester Formula: C23H23NO4S MolecularWeight: 409.49802

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(C(=CS1)C2=CC=C(C=C2)C)C(=O)OC)OC3=CC=CC=C3

Isomeric SMILES

CCC(C(=O)NC1=C(C(=CS1)C2=CC=C(C=C2)C)C(=O)OC)OC3=CC=CC=C3

InChI

InChI=1S/C23H23NO4S/c1-4-19(28-17-8-6-5-7-9-17)21(25)24-22-20(23(26)27-3)18(14-29-22)16-12-10-15(2)11-13-16/h5-14,19H,4H2,1-3H3,(H,24,25)