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

Systemtic Name: 3-[(2-ethoxy-2-oxidanylidene-ethyl)sulfanylmethyl]-1-benzothiophene-2-carboxylic acid Openeye Name: 3-[(2-ethoxy-2-oxo-ethyl)sulfanylmethyl]benzothiophene-2-carboxylic acid CAS Name: 3-[[(2-ethoxy-2-oxoethyl)thio]methyl]-1-benzothiophene-2-carboxylic acid IUPAC Name: 3-[(2-ethoxy-2-oxoethyl)sulfanylmethyl]-1-benzothiophene-2-carboxylic acid Traditional Name: 3-[[(2-ethoxy-2-keto-ethyl)thio]methyl]benzothiophene-2-carboxylic acid Formula: C14H14O4S2 MolecularWeight: 310.38856

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H14O4S2/c1-2-18-12(15)8-19-7-10-9-5-3-4-6-11(9)20-13(10)14(16)17/h3-6H,2,7-8H2,1H3,(H,16,17)