4-(bromomethyl)-5-phenylmethoxy-3-phenylsulfanyl-2,3-dihydro-1-benzothiophene 1,1-dioxide

Systemtic Name: 4-(bromomethyl)-5-phenylmethoxy-3-phenylsulfanyl-2,3-dihydro-1-benzothiophene 1,1-dioxide Openeye Name: 5-benzyloxy-4-(bromomethyl)-3-phenylsulfanyl-2,3-dihydrobenzothiophene 1,1-dioxide CAS Name: 4-(bromomethyl)-5-phenylmethoxy-3-(phenylthio)-2,3-dihydro-1-benzothiophene 1,1-dioxide IUPAC Name: 4-(bromomethyl)-5-phenylmethoxy-3-phenylsulfanyl-2,3-dihydro-1-benzothiophene 1,1-dioxide Traditional Name: 5-benzoxy-4-(bromomethyl)-3-(phenylthio)-2,3-dihydrobenzothiophene 1,1-dioxide Formula: C22H19BrO3S2 MolecularWeight: 475.41846

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C2=C(S1(=O)=O)C=CC(=C2CBr)OCC3=CC=CC=C3)SC4=CC=CC=C4

Isomeric SMILES

C1C(C2=C(S1(=O)=O)C=CC(=C2CBr)OCC3=CC=CC=C3)SC4=CC=CC=C4

InChI

InChI=1S/C22H19BrO3S2/c23-13-18-19(26-14-16-7-3-1-4-8-16)11-12-21-22(18)20(15-28(21,24)25)27-17-9-5-2-6-10-17/h1-12,20H,13-15H2