2-(heptanoylamino)thiophene-3-carboxylic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(=O)NC1=C(C=CS1)C(=O)O

Isomeric SMILES

CCCCCCC(=O)NC1=C(C=CS1)C(=O)O

InChI

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