ethyl 5-methyl-2-(3-methylbutanoylamino)-4-phenyl-thiophene-3-carboxylate

Systemtic Name: ethyl 5-methyl-2-(3-methylbutanoylamino)-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 5-methyl-2-(3-methylbutanoylamino)-4-phenyl-thiophene-3-carboxylate CAS Name: 5-methyl-2-[(3-methyl-1-oxobutyl)amino]-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-2-(3-methylbutanoylamino)-4-phenylthiophene-3-carboxylate Traditional Name: 2-(isovalerylamino)-5-methyl-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C19H23NO3S MolecularWeight: 345.45582

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=O)CC(C)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=O)CC(C)C

InChI

InChI=1S/C19H23NO3S/c1-5-23-19(22)17-16(14-9-7-6-8-10-14)13(4)24-18(17)20-15(21)11-12(2)3/h6-10,12H,5,11H2,1-4H3,(H,20,21)