(3S)-6-nitro-3-(phenylmethylsulfanyl)-2,3-dihydro-1-benzothiophene 1,1-dioxide

Systemtic Name: (3S)-6-nitro-3-(phenylmethylsulfanyl)-2,3-dihydro-1-benzothiophene 1,1-dioxide Openeye Name: (3S)-3-benzylsulfanyl-6-nitro-2,3-dihydrobenzothiophene 1,1-dioxide CAS Name: (3S)-6-nitro-3-(phenylmethylthio)-2,3-dihydro-1-benzothiophene 1,1-dioxide IUPAC Name: (3S)-3-benzylsulfanyl-6-nitro-2,3-dihydro-1-benzothiophene 1,1-dioxide Traditional Name: (3S)-3-(benzylthio)-6-nitro-2,3-dihydrobenzothiophene 1,1-dioxide Formula: C15H13NO4S2 MolecularWeight: 335.39802

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C2=C(S1(=O)=O)C=C(C=C2)[N+](=O)[O-])SCC3=CC=CC=C3

Isomeric SMILES

C1[C@H](C2=C(S1(=O)=O)C=C(C=C2)[N+](=O)[O-])SCC3=CC=CC=C3

InChI

InChI=1S/C15H13NO4S2/c17-16(18)12-6-7-13-14(10-22(19,20)15(13)8-12)21-9-11-4-2-1-3-5-11/h1-8,14H,9-10H2/t14-/m1/s1