3-(heptanoylamino)thiophene-2-carboxylic acid

Systemtic Name: 3-(heptanoylamino)thiophene-2-carboxylic acid Openeye Name: 3-(heptanoylamino)thiophene-2-carboxylic acid CAS Name: 3-(1-oxoheptylamino)-2-thiophenecarboxylic acid IUPAC Name: 3-(heptanoylamino)thiophene-2-carboxylic acid Traditional Name: 3-(enanthylamino)-2-thenoic acid Formula: C12H17NO3S MolecularWeight: 255.33328

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(=O)NC1=C(SC=C1)C(=O)O

Isomeric SMILES

CCCCCCC(=O)NC1=C(SC=C1)C(=O)O

InChI

InChI=1S/C12H17NO3S/c1-2-3-4-5-6-10(14)13-9-7-8-17-11(9)12(15)16/h7-8H,2-6H2,1H3,(H,13,14)(H,15,16)