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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCSCC1=C(SC2=CC=CC=C21)C(=O)O

Isomeric SMILES

COC(=O)CCSCC1=C(SC2=CC=CC=C21)C(=O)O

InChI

InChI=1S/C14H14O4S2/c1-18-12(15)6-7-19-8-10-9-4-2-3-5-11(9)20-13(10)14(16)17/h2-5H,6-8H2,1H3,(H,16,17)