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

Systemtic Name: 2-(2-methylbutanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid Openeye Name: 2-(2-methylbutanoylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid CAS Name: 2-[(2-methyl-1-oxobutyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid IUPAC Name: 2-(2-methylbutanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid Traditional Name: 2-(2-methylbutanoylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid Formula: C14H19NO3S MolecularWeight: 281.37056

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19NO3S/c1-3-8(2)12(16)15-13-11(14(17)18)9-6-4-5-7-10(9)19-13/h8H,3-7H2,1-2H3,(H,15,16)(H,17,18)