3-[(2-methoxy-2-oxidanylidene-ethyl)sulfanylmethyl]-1-benzothiophene-2-carboxylic acid

Systemtic Name: 3-[(2-methoxy-2-oxidanylidene-ethyl)sulfanylmethyl]-1-benzothiophene-2-carboxylic acid Openeye Name: 3-[(2-methoxy-2-oxo-ethyl)sulfanylmethyl]benzothiophene-2-carboxylic acid CAS Name: 3-[[(2-methoxy-2-oxoethyl)thio]methyl]-1-benzothiophene-2-carboxylic acid IUPAC Name: 3-[(2-methoxy-2-oxoethyl)sulfanylmethyl]-1-benzothiophene-2-carboxylic acid Traditional Name: 3-[[(2-keto-2-methoxy-ethyl)thio]methyl]benzothiophene-2-carboxylic acid Formula: C13H12O4S2 MolecularWeight: 296.36198

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CSCC1=C(SC2=CC=CC=C21)C(=O)O

Isomeric SMILES

COC(=O)CSCC1=C(SC2=CC=CC=C21)C(=O)O

InChI

InChI=1S/C13H12O4S2/c1-17-11(14)7-18-6-9-8-4-2-3-5-10(8)19-12(9)13(15)16/h2-5H,6-7H2,1H3,(H,15,16)