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

Systemtic Name: 4,5-dimethyl-2-(3-methylbutanoylamino)thiophene-3-carboxylic acid Openeye Name: 4,5-dimethyl-2-(3-methylbutanoylamino)thiophene-3-carboxylic acid CAS Name: 4,5-dimethyl-2-[(3-methyl-1-oxobutyl)amino]-3-thiophenecarboxylic acid IUPAC Name: 4,5-dimethyl-2-(3-methylbutanoylamino)thiophene-3-carboxylic acid Traditional Name: 2-(isovalerylamino)-4,5-dimethyl-3-thenoic acid Formula: C12H17NO3S MolecularWeight: 255.33328

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17NO3S/c1-6(2)5-9(14)13-11-10(12(15)16)7(3)8(4)17-11/h6H,5H2,1-4H3,(H,13,14)(H,15,16)