4-oxidanylidene-3-(phenylmethylsulfanyl)-6,7-dihydro-5H-2-benzothiophene-1-carboxylic acid

Systemtic Name: 4-oxidanylidene-3-(phenylmethylsulfanyl)-6,7-dihydro-5H-2-benzothiophene-1-carboxylic acid Openeye Name: 3-benzylsulfanyl-4-oxo-6,7-dihydro-5H-2-benzothiophene-1-carboxylic acid CAS Name: 4-oxo-3-(phenylmethylthio)-6,7-dihydro-5H-2-benzothiophene-1-carboxylic acid IUPAC Name: 3-benzylsulfanyl-4-oxo-6,7-dihydro-5H-2-benzothiophene-1-carboxylic acid Traditional Name: 3-(benzylthio)-4-keto-6,7-dihydro-5H-isobenzothiophene-1-carboxylic acid Formula: C16H14O3S2 MolecularWeight: 318.41056

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(SC(=C2C(=O)C1)SCC3=CC=CC=C3)C(=O)O

Isomeric SMILES

C1CC2=C(SC(=C2C(=O)C1)SCC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C16H14O3S2/c17-12-8-4-7-11-13(12)16(21-14(11)15(18)19)20-9-10-5-2-1-3-6-10/h1-3,5-6H,4,7-9H2,(H,18,19)