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

Systemtic Name: 2-(2-propan-2-ylsulfanylethanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid Openeye Name: 2-[(2-isopropylsulfanylacetyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid CAS Name: 2-[[1-oxo-2-(propan-2-ylthio)ethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid IUPAC Name: 2-[(2-propan-2-ylsulfanylacetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid Traditional Name: 2-[[2-(isopropylthio)acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid Formula: C14H19NO3S2 MolecularWeight: 313.43556

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)SCC(=O)NC1=C(C2=C(S1)CCCC2)C(=O)O

Isomeric SMILES

CC(C)SCC(=O)NC1=C(C2=C(S1)CCCC2)C(=O)O

InChI

InChI=1S/C14H19NO3S2/c1-8(2)19-7-11(16)15-13-12(14(17)18)9-5-3-4-6-10(9)20-13/h8H,3-7H2,1-2H3,(H,15,16)(H,17,18)