dimethyl 4-oxidanyl-4-phenyl-pyrrolo[2,1-c][1,4]benzothiazine-2,3-dicarboxylate

Systemtic Name: dimethyl 4-oxidanyl-4-phenyl-pyrrolo[2,1-c][1,4]benzothiazine-2,3-dicarboxylate Openeye Name: dimethyl 4-hydroxy-4-phenyl-pyrrolo[2,1-c][1,4]benzothiazine-2,3-dicarboxylate CAS Name: 4-hydroxy-4-phenylpyrrolo[2,1-c][1,4]benzothiazine-2,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 4-hydroxy-4-phenylpyrrolo[2,1-c][1,4]benzothiazine-2,3-dicarboxylate Traditional Name: 4-hydroxy-4-phenyl-pyrrolo[2,1-c][1,4]benzothiazine-2,3-dicarboxylic acid dimethyl ester Formula: C21H17NO5S MolecularWeight: 395.42838

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CN2C3=CC=CC=C3SC(C2=C1C(=O)OC)(C4=CC=CC=C4)O

Isomeric SMILES

COC(=O)C1=CN2C3=CC=CC=C3SC(C2=C1C(=O)OC)(C4=CC=CC=C4)O

InChI

InChI=1S/C21H17NO5S/c1-26-19(23)14-12-22-15-10-6-7-11-16(15)28-21(25,13-8-4-3-5-9-13)18(22)17(14)20(24)27-2/h3-12,25H,1-2H3