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

Systemtic Name: 2-(3,5,5-trimethylhexanoylamino)thiophene-3-carboxylic acid Openeye Name: 2-(3,5,5-trimethylhexanoylamino)thiophene-3-carboxylic acid CAS Name: 2-[(3,5,5-trimethyl-1-oxohexyl)amino]-3-thiophenecarboxylic acid IUPAC Name: 2-(3,5,5-trimethylhexanoylamino)thiophene-3-carboxylic acid Traditional Name: 2-(3,5,5-trimethylhexanoylamino)-3-thenoic acid Formula: C14H21NO3S MolecularWeight: 283.38644

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H21NO3S/c1-9(8-14(2,3)4)7-11(16)15-12-10(13(17)18)5-6-19-12/h5-6,9H,7-8H2,1-4H3,(H,15,16)(H,17,18)