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

Systemtic Name: 5-(3-methylbutanoylamino)thiophene-2-carboxylic acid Openeye Name: 5-(3-methylbutanoylamino)thiophene-2-carboxylic acid CAS Name: 5-[(3-methyl-1-oxobutyl)amino]-2-thiophenecarboxylic acid IUPAC Name: 5-(3-methylbutanoylamino)thiophene-2-carboxylic acid Traditional Name: 5-(isovalerylamino)-2-thenoic acid Formula: C10H13NO3S MolecularWeight: 227.28012

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC1=CC=C(S1)C(=O)O

Isomeric SMILES

CC(C)CC(=O)NC1=CC=C(S1)C(=O)O

InChI

InChI=1S/C10H13NO3S/c1-6(2)5-8(12)11-9-4-3-7(15-9)10(13)14/h3-4,6H,5H2,1-2H3,(H,11,12)(H,13,14)