[6-(4-methoxyphenyl)pyrrolo[2,1-d][1,5]benzothiazepin-7-yl] methanesulfonate

Systemtic Name: [6-(4-methoxyphenyl)pyrrolo[2,1-d][1,5]benzothiazepin-7-yl] methanesulfonate Openeye Name: [6-(4-methoxyphenyl)pyrrolo[2,1-d][1,5]benzothiazepin-7-yl] methanesulfonate CAS Name: methanesulfonic acid [6-(4-methoxyphenyl)-7-pyrrolo[2,1-d][1,5]benzothiazepinyl] ester IUPAC Name: [6-(4-methoxyphenyl)pyrrolo[2,1-d][1,5]benzothiazepin-7-yl] methanesulfonate Traditional Name: methanesulfonic acid [6-(4-methoxyphenyl)pyrrolo[2,1-d][1,5]benzothiazepin-7-yl] ester Formula: C20H17NO4S2 MolecularWeight: 399.48328

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=C(C3=CC=CN3C4=CC=CC=C4S2)OS(=O)(=O)C

Isomeric SMILES

COC1=CC=C(C=C1)C2=C(C3=CC=CN3C4=CC=CC=C4S2)OS(=O)(=O)C

InChI

InChI=1S/C20H17NO4S2/c1-24-15-11-9-14(10-12-15)20-19(25-27(2,22)23)17-7-5-13-21(17)16-6-3-4-8-18(16)26-20/h3-13H,1-2H3