5-(heptanoylamino)thiophene-2-carboxylic acid

Systemtic Name: 5-(heptanoylamino)thiophene-2-carboxylic acid Openeye Name: 5-(heptanoylamino)thiophene-2-carboxylic acid CAS Name: 5-(1-oxoheptylamino)-2-thiophenecarboxylic acid IUPAC Name: 5-(heptanoylamino)thiophene-2-carboxylic acid Traditional Name: 5-(enanthylamino)-2-thenoic acid Formula: C12H17NO3S MolecularWeight: 255.33328

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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