3-(2-methylpropylsulfanylmethyl)-1-benzothiophene-2-carboxylic acid

Systemtic Name: 3-(2-methylpropylsulfanylmethyl)-1-benzothiophene-2-carboxylic acid Openeye Name: 3-(isobutylsulfanylmethyl)benzothiophene-2-carboxylic acid CAS Name: 3-[(2-methylpropylthio)methyl]-1-benzothiophene-2-carboxylic acid IUPAC Name: 3-(2-methylpropylsulfanylmethyl)-1-benzothiophene-2-carboxylic acid Traditional Name: 3-[(isobutylthio)methyl]benzothiophene-2-carboxylic acid Formula: C14H16O2S2 MolecularWeight: 280.40564

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16O2S2/c1-9(2)7-17-8-11-10-5-3-4-6-12(10)18-13(11)14(15)16/h3-6,9H,7-8H2,1-2H3,(H,15,16)