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

Systemtic Name: 3-methyl-5-(3,5,5-trimethylhexanoylamino)thiophene-2-carboxylic acid Openeye Name: 3-methyl-5-(3,5,5-trimethylhexanoylamino)thiophene-2-carboxylic acid CAS Name: 3-methyl-5-[(3,5,5-trimethyl-1-oxohexyl)amino]-2-thiophenecarboxylic acid IUPAC Name: 3-methyl-5-(3,5,5-trimethylhexanoylamino)thiophene-2-carboxylic acid Traditional Name: 3-methyl-5-(3,5,5-trimethylhexanoylamino)-2-thenoic acid Formula: C15H23NO3S MolecularWeight: 297.41302

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1)NC(=O)CC(C)CC(C)(C)C)C(=O)O

Isomeric SMILES

CC1=C(SC(=C1)NC(=O)CC(C)CC(C)(C)C)C(=O)O

InChI

InChI=1S/C15H23NO3S/c1-9(8-15(3,4)5)6-11(17)16-12-7-10(2)13(20-12)14(18)19/h7,9H,6,8H2,1-5H3,(H,16,17)(H,18,19)