4,5-dimethyl-2-(3,5,5-trimethylhexanoylamino)thiophene-3-carboxylic acid

Systemtic Name: 4,5-dimethyl-2-(3,5,5-trimethylhexanoylamino)thiophene-3-carboxylic acid Openeye Name: 4,5-dimethyl-2-(3,5,5-trimethylhexanoylamino)thiophene-3-carboxylic acid CAS Name: 4,5-dimethyl-2-[(3,5,5-trimethyl-1-oxohexyl)amino]-3-thiophenecarboxylic acid IUPAC Name: 4,5-dimethyl-2-(3,5,5-trimethylhexanoylamino)thiophene-3-carboxylic acid Traditional Name: 4,5-dimethyl-2-(3,5,5-trimethylhexanoylamino)-3-thenoic acid Formula: C16H25NO3S MolecularWeight: 311.4396

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)O)NC(=O)CC(C)CC(C)(C)C)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)O)NC(=O)CC(C)CC(C)(C)C)C

InChI

InChI=1S/C16H25NO3S/c1-9(8-16(4,5)6)7-12(18)17-14-13(15(19)20)10(2)11(3)21-14/h9H,7-8H2,1-6H3,(H,17,18)(H,19,20)