ethyl 2-(4-bromophenyl)-9-oxidanylidene-pyrrolo[2,1-b][1,3]benzothiazine-3-carboxylate

Systemtic Name: ethyl 2-(4-bromophenyl)-9-oxidanylidene-pyrrolo[2,1-b][1,3]benzothiazine-3-carboxylate Openeye Name: ethyl 2-(4-bromophenyl)-9-oxo-pyrrolo[2,1-b][1,3]benzothiazine-3-carboxylate CAS Name: 2-(4-bromophenyl)-9-oxo-3-pyrrolo[2,1-b][1,3]benzothiazinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(4-bromophenyl)-9-oxopyrrolo[2,1-b][1,3]benzothiazine-3-carboxylate Traditional Name: 2-(4-bromophenyl)-9-keto-pyrrolo[2,1-b][1,3]benzothiazine-3-carboxylic acid ethyl ester Formula: C20H14BrNO3S MolecularWeight: 428.29906

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C2N(C=C1C3=CC=C(C=C3)Br)C(=O)C4=CC=CC=C4S2

Isomeric SMILES

CCOC(=O)C1=C2N(C=C1C3=CC=C(C=C3)Br)C(=O)C4=CC=CC=C4S2

InChI

InChI=1S/C20H14BrNO3S/c1-2-25-20(24)17-15(12-7-9-13(21)10-8-12)11-22-18(23)14-5-3-4-6-16(14)26-19(17)22/h3-11H,2H2,1H3