trimethyl 3a-oxidanyl-3,9-dihydro-2H-cyclopenta[b][1,4]benzothiazine-1,2,3-tricarboxylate

Systemtic Name: trimethyl 3a-oxidanyl-3,9-dihydro-2H-cyclopenta[b][1,4]benzothiazine-1,2,3-tricarboxylate Openeye Name: trimethyl 3a-hydroxy-3,9-dihydro-2H-cyclopenta[b][1,4]benzothiazine-1,2,3-tricarboxylate CAS Name: 3a-hydroxy-3,9-dihydro-2H-cyclopenta[b][1,4]benzothiazine-1,2,3-tricarboxylic acid trimethyl ester IUPAC Name: trimethyl 3a-hydroxy-3,9-dihydro-2H-cyclopenta[b][1,4]benzothiazine-1,2,3-tricarboxylate Traditional Name: 3a-hydroxy-3,9-dihydro-2H-cyclopenta[b][1,4]benzothiazine-1,2,3-tricarboxylic acid trimethyl ester Formula: C17H17NO7S MolecularWeight: 379.38438

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1C(C2(C(=C1C(=O)OC)NC3=CC=CC=C3S2)O)C(=O)OC

Isomeric SMILES

COC(=O)C1C(C2(C(=C1C(=O)OC)NC3=CC=CC=C3S2)O)C(=O)OC

InChI

InChI=1S/C17H17NO7S/c1-23-14(19)10-11(15(20)24-2)13-17(22,12(10)16(21)25-3)26-9-7-5-4-6-8(9)18-13/h4-7,10,12,18,22H,1-3H3