5-(2-ethylhexanoylamino)-3-methyl-thiophene-2-carboxylic acid

Systemtic Name: 5-(2-ethylhexanoylamino)-3-methyl-thiophene-2-carboxylic acid Openeye Name: 5-(2-ethylhexanoylamino)-3-methyl-thiophene-2-carboxylic acid CAS Name: 5-[(2-ethyl-1-oxohexyl)amino]-3-methyl-2-thiophenecarboxylic acid IUPAC Name: 5-(2-ethylhexanoylamino)-3-methylthiophene-2-carboxylic acid Traditional Name: 5-(2-ethylhexanoylamino)-3-methyl-2-thenoic acid Formula: C14H21NO3S MolecularWeight: 283.38644

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H21NO3S/c1-4-6-7-10(5-2)13(16)15-11-8-9(3)12(19-11)14(17)18/h8,10H,4-7H2,1-3H3,(H,15,16)(H,17,18)