7-(4-bromophenyl)-5-methylsulfanyl-2,3-dihydro-1-benzothiophene-4-carboxylic acid

Systemtic Name: 7-(4-bromophenyl)-5-methylsulfanyl-2,3-dihydro-1-benzothiophene-4-carboxylic acid Openeye Name: 7-(4-bromophenyl)-5-methylsulfanyl-2,3-dihydrobenzothiophene-4-carboxylic acid CAS Name: 7-(4-bromophenyl)-5-(methylthio)-2,3-dihydro-1-benzothiophene-4-carboxylic acid IUPAC Name: 7-(4-bromophenyl)-5-methylsulfanyl-2,3-dihydro-1-benzothiophene-4-carboxylic acid Traditional Name: 7-(4-bromophenyl)-5-(methylthio)-2,3-dihydrobenzothiophene-4-carboxylic acid Formula: C16H13BrO2S2 MolecularWeight: 381.30722

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C2=C(C(=C1)C3=CC=C(C=C3)Br)SCC2)C(=O)O

Isomeric SMILES

CSC1=C(C2=C(C(=C1)C3=CC=C(C=C3)Br)SCC2)C(=O)O

InChI

InChI=1S/C16H13BrO2S2/c1-20-13-8-12(9-2-4-10(17)5-3-9)15-11(6-7-21-15)14(13)16(18)19/h2-5,8H,6-7H2,1H3,(H,18,19)