5-(butanoylamino)-1-benzothiophene-2-carboxylic acid

Systemtic Name: 5-(butanoylamino)-1-benzothiophene-2-carboxylic acid Openeye Name: 5-(butanoylamino)benzothiophene-2-carboxylic acid CAS Name: 5-(1-oxobutylamino)-1-benzothiophene-2-carboxylic acid IUPAC Name: 5-(butanoylamino)-1-benzothiophene-2-carboxylic acid Traditional Name: 5-butyramidobenzothiophene-2-carboxylic acid Formula: C13H13NO3S MolecularWeight: 263.31222

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=CC2=C(C=C1)SC(=C2)C(=O)O

Isomeric SMILES

CCCC(=O)NC1=CC2=C(C=C1)SC(=C2)C(=O)O

InChI

InChI=1S/C13H13NO3S/c1-2-3-12(15)14-9-4-5-10-8(6-9)7-11(18-10)13(16)17/h4-7H,2-3H2,1H3,(H,14,15)(H,16,17)