4-oxidanylidene-1-phenyl-3-sulfanyl-5,6,7,7a-tetrahydro-2-benzothiophene-1-carboxylic acid

Systemtic Name: 4-oxidanylidene-1-phenyl-3-sulfanyl-5,6,7,7a-tetrahydro-2-benzothiophene-1-carboxylic acid Openeye Name: 4-oxo-1-phenyl-3-sulfanyl-5,6,7,7a-tetrahydro-2-benzothiophene-1-carboxylic acid CAS Name: 3-mercapto-4-oxo-1-phenyl-5,6,7,7a-tetrahydro-2-benzothiophene-1-carboxylic acid IUPAC Name: 4-oxo-1-phenyl-3-sulfanyl-5,6,7,7a-tetrahydro-2-benzothiophene-1-carboxylic acid Traditional Name: 4-keto-3-mercapto-1-phenyl-5,6,7,7a-tetrahydroisobenzothiophene-1-carboxylic acid Formula: C15H14O3S2 MolecularWeight: 306.39986

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC2C(=C(SC2(C3=CC=CC=C3)C(=O)O)S)C(=O)C1

Isomeric SMILES

C1CC2C(=C(SC2(C3=CC=CC=C3)C(=O)O)S)C(=O)C1

InChI

InChI=1S/C15H14O3S2/c16-11-8-4-7-10-12(11)13(19)20-15(10,14(17)18)9-5-2-1-3-6-9/h1-3,5-6,10,19H,4,7-8H2,(H,17,18)