4-oxidanylidene-3-propan-2-ylsulfanyl-6,7-dihydro-5H-2-benzothiophene-1-carboxylic acid

Systemtic Name: 4-oxidanylidene-3-propan-2-ylsulfanyl-6,7-dihydro-5H-2-benzothiophene-1-carboxylic acid Openeye Name: 3-isopropylsulfanyl-4-oxo-6,7-dihydro-5H-2-benzothiophene-1-carboxylic acid CAS Name: 4-oxo-3-(propan-2-ylthio)-6,7-dihydro-5H-2-benzothiophene-1-carboxylic acid IUPAC Name: 4-oxo-3-propan-2-ylsulfanyl-6,7-dihydro-5H-2-benzothiophene-1-carboxylic acid Traditional Name: 3-(isopropylthio)-4-keto-6,7-dihydro-5H-isobenzothiophene-1-carboxylic acid Formula: C12H14O3S2 MolecularWeight: 270.36776

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)SC1=C2C(=C(S1)C(=O)O)CCCC2=O

Isomeric SMILES

CC(C)SC1=C2C(=C(S1)C(=O)O)CCCC2=O

InChI

InChI=1S/C12H14O3S2/c1-6(2)16-12-9-7(4-3-5-8(9)13)10(17-12)11(14)15/h6H,3-5H2,1-2H3,(H,14,15)