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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=C2C(=C(S1)C(=O)O)CCCC2=O

Isomeric SMILES

CCCSC1=C2C(=C(S1)C(=O)O)CCCC2=O

InChI

InChI=1S/C12H14O3S2/c1-2-6-16-12-9-7(4-3-5-8(9)13)10(17-12)11(14)15/h2-6H2,1H3,(H,14,15)