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methyl 11-(2-azanylethylsulfanyl)-6,11-dihydrobenzo[c][1]benzothiepine-2-carboxylate
methyl 11-(2-azanylethylsulfanyl)-6,11-dihydrobenzo[c][1]benzothiepine-2-carboxylate
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Descriptors Computed from Structure
Canonical SMILES:
COC(=O)C1=CC2=C(C=C1)SCC3=CC=CC=C3C2SCCN
Isomeric SMILES
COC(=O)C1=CC2=C(C=C1)SCC3=CC=CC=C3C2SCCN
InChI
InChI=1S/C18H19NO2S2/c1-21-18(20)12-6-7-16-15(10-12)17(22-9-8-19)14-5-3-2-4-13(14)11-23-16/h2-7,10,17H,8-9,11,19H2,1H3
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