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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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