2-[[(6R)-3-chloranyl-5,6-dihydrobenzo[b][1]benzothiepin-6-yl]sulfanyl]ethanoate

Systemtic Name: 2-[[(6R)-3-chloranyl-5,6-dihydrobenzo[b][1]benzothiepin-6-yl]sulfanyl]ethanoate Openeye Name: 2-[[(6R)-3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-6-yl]sulfanyl]acetate CAS Name: 2-[[(6R)-3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-6-yl]thio]acetate IUPAC Name: 2-[[(6R)-3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-6-yl]sulfanyl]acetate Traditional Name: 2-[[(6R)-3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-6-yl]thio]acetate Formula: C16H12ClO2S2- MolecularWeight: 335.84828

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C2=CC=CC=C2SC3=C1C=C(C=C3)Cl)SCC(=O)[O-]

Isomeric SMILES

C1[C@H](C2=CC=CC=C2SC3=C1C=C(C=C3)Cl)SCC(=O)[O-]

InChI

InChI=1S/C16H13ClO2S2/c17-11-5-6-13-10(7-11)8-15(20-9-16(18)19)12-3-1-2-4-14(12)21-13/h1-7,15H,8-9H2,(H,18,19)/p-1/t15-/m1/s1