5-ethyl-2-(3-methylbutanoylamino)thiophene-3-carboxylic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=O)CC(C)C)C(=O)O

Isomeric SMILES

CCC1=CC(=C(S1)NC(=O)CC(C)C)C(=O)O

InChI

InChI=1S/C12H17NO3S/c1-4-8-6-9(12(15)16)11(17-8)13-10(14)5-7(2)3/h6-7H,4-5H2,1-3H3,(H,13,14)(H,15,16)