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

Systemtic Name: 2-(heptanoylamino)-4,5-dimethyl-thiophene-3-carboxylic acid Openeye Name: 2-(heptanoylamino)-4,5-dimethyl-thiophene-3-carboxylic acid CAS Name: 4,5-dimethyl-2-(1-oxoheptylamino)-3-thiophenecarboxylic acid IUPAC Name: 2-(heptanoylamino)-4,5-dimethylthiophene-3-carboxylic acid Traditional Name: 2-(enanthylamino)-4,5-dimethyl-3-thenoic acid Formula: C14H21NO3S MolecularWeight: 283.38644

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(=O)NC1=C(C(=C(S1)C)C)C(=O)O

Isomeric SMILES

CCCCCCC(=O)NC1=C(C(=C(S1)C)C)C(=O)O

InChI

InChI=1S/C14H21NO3S/c1-4-5-6-7-8-11(16)15-13-12(14(17)18)9(2)10(3)19-13/h4-8H2,1-3H3,(H,15,16)(H,17,18)