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

Systemtic Name: 5-(propanoylamino)-1-benzothiophene-2-carboxylic acid Openeye Name: 5-(propanoylamino)benzothiophene-2-carboxylic acid CAS Name: 5-(1-oxopropylamino)-1-benzothiophene-2-carboxylic acid IUPAC Name: 5-(propanoylamino)-1-benzothiophene-2-carboxylic acid Traditional Name: 5-propionamidobenzothiophene-2-carboxylic acid Formula: C12H11NO3S MolecularWeight: 249.28564

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H11NO3S/c1-2-11(14)13-8-3-4-9-7(5-8)6-10(17-9)12(15)16/h3-6H,2H2,1H3,(H,13,14)(H,15,16)