4-[[(6R)-3-chloranyl-5,6-dihydrobenzo[b][1]benzothiepin-6-yl]sulfanyl]butanoate

Systemtic Name: 4-[[(6R)-3-chloranyl-5,6-dihydrobenzo[b][1]benzothiepin-6-yl]sulfanyl]butanoate Openeye Name: 4-[[(6R)-3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-6-yl]sulfanyl]butanoate CAS Name: 4-[[(6R)-3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-6-yl]thio]butanoate IUPAC Name: 4-[[(6R)-3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-6-yl]sulfanyl]butanoate Traditional Name: 4-[[(6R)-3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-6-yl]thio]butyrate Formula: C18H16ClO2S2- MolecularWeight: 363.90144

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17ClO2S2/c19-13-7-8-15-12(10-13)11-17(22-9-3-6-18(20)21)14-4-1-2-5-16(14)23-15/h1-2,4-5,7-8,10,17H,3,6,9,11H2,(H,20,21)/p-1/t17-/m1/s1