ethyl 4,5-dimethyl-2-(3-methylbutanoylamino)thiophene-3-carboxylate

Systemtic Name: ethyl 4,5-dimethyl-2-(3-methylbutanoylamino)thiophene-3-carboxylate Openeye Name: ethyl 4,5-dimethyl-2-(3-methylbutanoylamino)thiophene-3-carboxylate CAS Name: 4,5-dimethyl-2-[(3-methyl-1-oxobutyl)amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4,5-dimethyl-2-(3-methylbutanoylamino)thiophene-3-carboxylate Traditional Name: 2-(isovalerylamino)-4,5-dimethyl-thiophene-3-carboxylic acid ethyl ester Formula: C14H21NO3S MolecularWeight: 283.38644

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)CC(C)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)CC(C)C

InChI

InChI=1S/C14H21NO3S/c1-6-18-14(17)12-9(4)10(5)19-13(12)15-11(16)7-8(2)3/h8H,6-7H2,1-5H3,(H,15,16)