2-[3-[(10-phenylmethoxycarbonylpyrazino[2,3-b][1,4]benzothiazin-8-yl)methyl]-3-azabicyclo[3.3.1]nonan-9-yl]ethanoate

Systemtic Name: 2-[3-[(10-phenylmethoxycarbonylpyrazino[2,3-b][1,4]benzothiazin-8-yl)methyl]-3-azabicyclo[3.3.1]nonan-9-yl]ethanoate Openeye Name: 2-[3-[(10-benzyloxycarbonylpyrazino[2,3-b][1,4]benzothiazin-8-yl)methyl]-3-azabicyclo[3.3.1]nonan-9-yl]acetate CAS Name: 2-[3-[(10-phenylmethoxycarbonyl-8-pyrazino[2,3-b][1,4]benzothiazinyl)methyl]-3-azabicyclo[3.3.1]nonan-9-yl]acetate IUPAC Name: 2-[3-[(10-phenylmethoxycarbonylpyrazino[2,3-b][1,4]benzothiazin-8-yl)methyl]-3-azabicyclo[3.3.1]nonan-9-yl]acetate Traditional Name: 2-[3-[(10-carbobenzoxypyrazino[2,3-b][1,4]benzothiazin-8-yl)methyl]-3-azabicyclo[3.3.1]nonan-9-yl]acetate Formula: C29H29N4O4S- MolecularWeight: 529.62996

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2CN(CC(C1)C2CC(=O)[O-])CC3=CC4=C(C=C3)SC5=NC=CN=C5N4C(=O)OCC6=CC=CC=C6

Isomeric SMILES

C1CC2CN(CC(C1)C2CC(=O)[O-])CC3=CC4=C(C=C3)SC5=NC=CN=C5N4C(=O)OCC6=CC=CC=C6

InChI

InChI=1S/C29H30N4O4S/c34-26(35)14-23-21-7-4-8-22(23)17-32(16-21)15-20-9-10-25-24(13-20)33(27-28(38-25)31-12-11-30-27)29(36)37-18-19-5-2-1-3-6-19/h1-3,5-6,9-13,21-23H,4,7-8,14-18H2,(H,34,35)/p-1