5-(phenethylsulfonylmethyl)-1-benzothiophene

Systemtic Name: 5-(phenethylsulfonylmethyl)-1-benzothiophene Openeye Name: 5-(phenethylsulfonylmethyl)benzothiophene CAS Name: 5-(phenethylsulfonylmethyl)-1-benzothiophene IUPAC Name: 5-(phenethylsulfonylmethyl)-1-benzothiophene Traditional Name: 5-(phenethylsulfonylmethyl)benzothiophene Formula: C17H16O2S2 MolecularWeight: 316.43774

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCS(=O)(=O)CC2=CC3=C(C=C2)SC=C3

Isomeric SMILES

C1=CC=C(C=C1)CCS(=O)(=O)CC2=CC3=C(C=C2)SC=C3

InChI

InChI=1S/C17H16O2S2/c18-21(19,11-9-14-4-2-1-3-5-14)13-15-6-7-17-16(12-15)8-10-20-17/h1-8,10,12H,9,11,13H2