2-[3-methoxy-5-(2-methylsulfonyloxyethyl)benzo[b][1]benzothiepin-6-yl]ethyl methanesulfonate

Systemtic Name: 2-[3-methoxy-5-(2-methylsulfonyloxyethyl)benzo[b][1]benzothiepin-6-yl]ethyl methanesulfonate Openeye Name: 2-[3-methoxy-5-(2-methylsulfonyloxyethyl)benzo[b][1]benzothiepin-6-yl]ethyl methanesulfonate CAS Name: methanesulfonic acid 2-[3-methoxy-5-(2-methylsulfonyloxyethyl)-6-benzo[b][1]benzothiepinyl]ethyl ester IUPAC Name: 2-[3-methoxy-5-(2-methylsulfonyloxyethyl)benzo[b][1]benzothiepin-6-yl]ethyl methanesulfonate Traditional Name: methanesulfonic acid 2-[3-methoxy-5-(2-methylsulfonyloxyethyl)benzo[b][1]benzothiepin-6-yl]ethyl ester Formula: C21H24O7S3 MolecularWeight: 484.60606

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)SC3=CC=CC=C3C(=C2CCOS(=O)(=O)C)CCOS(=O)(=O)C

Isomeric SMILES

COC1=CC2=C(C=C1)SC3=CC=CC=C3C(=C2CCOS(=O)(=O)C)CCOS(=O)(=O)C

InChI

InChI=1S/C21H24O7S3/c1-26-15-8-9-21-19(14-15)17(11-13-28-31(3,24)25)16(10-12-27-30(2,22)23)18-6-4-5-7-20(18)29-21/h4-9,14H,10-13H2,1-3H3