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

Systemtic Name: 2-(heptanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid Openeye Name: 2-(heptanoylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid CAS Name: 2-(1-oxoheptylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid IUPAC Name: 2-(heptanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid Traditional Name: 2-(enanthylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid Formula: C16H23NO3S MolecularWeight: 309.42372

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23NO3S/c1-2-3-4-5-10-13(18)17-15-14(16(19)20)11-8-6-7-9-12(11)21-15/h2-10H2,1H3,(H,17,18)(H,19,20)