methyl 2-(3-methylbutanoylamino)-4-(4-propan-2-ylphenyl)thiophene-3-carboxylate

Systemtic Name: methyl 2-(3-methylbutanoylamino)-4-(4-propan-2-ylphenyl)thiophene-3-carboxylate Openeye Name: methyl 4-(4-isopropylphenyl)-2-(3-methylbutanoylamino)thiophene-3-carboxylate CAS Name: 2-[(3-methyl-1-oxobutyl)amino]-4-(4-propan-2-ylphenyl)-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-(3-methylbutanoylamino)-4-(4-propan-2-ylphenyl)thiophene-3-carboxylate Traditional Name: 2-(isovalerylamino)-4-p-cumenyl-thiophene-3-carboxylic acid methyl ester Formula: C20H25NO3S MolecularWeight: 359.4824

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC1=C(C(=CS1)C2=CC=C(C=C2)C(C)C)C(=O)OC

Isomeric SMILES

CC(C)CC(=O)NC1=C(C(=CS1)C2=CC=C(C=C2)C(C)C)C(=O)OC

InChI

InChI=1S/C20H25NO3S/c1-12(2)10-17(22)21-19-18(20(23)24-5)16(11-25-19)15-8-6-14(7-9-15)13(3)4/h6-9,11-13H,10H2,1-5H3,(H,21,22)