2-(butanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid

Systemtic Name: 2-(butanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid Openeye Name: 2-(butanoylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid CAS Name: 2-(1-oxobutylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid IUPAC Name: 2-(butanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid Traditional Name: 2-butyramido-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid Formula: C13H17NO3S MolecularWeight: 267.34398

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=C(C2=C(S1)CCCC2)C(=O)O

Isomeric SMILES

CCCC(=O)NC1=C(C2=C(S1)CCCC2)C(=O)O

InChI

InChI=1S/C13H17NO3S/c1-2-5-10(15)14-12-11(13(16)17)8-6-3-4-7-9(8)18-12/h2-7H2,1H3,(H,14,15)(H,16,17)