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

Systemtic Name: ethyl 1-(4-bromophenyl)carbonyl-9-oxidanylidene-pyrrolo[2,1-b][1,3]benzothiazine-3-carboxylate Openeye Name: ethyl 1-(4-bromobenzoyl)-9-oxo-pyrrolo[2,1-b][1,3]benzothiazine-3-carboxylate CAS Name: 1-[(4-bromophenyl)-oxomethyl]-9-oxo-3-pyrrolo[2,1-b][1,3]benzothiazinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(4-bromobenzoyl)-9-oxopyrrolo[2,1-b][1,3]benzothiazine-3-carboxylate Traditional Name: 1-(4-bromobenzoyl)-9-keto-pyrrolo[2,1-b][1,3]benzothiazine-3-carboxylic acid ethyl ester Formula: C21H14BrNO4S MolecularWeight: 456.30916

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H14BrNO4S/c1-2-27-21(26)15-11-16(18(24)12-7-9-13(22)10-8-12)23-19(25)14-5-3-4-6-17(14)28-20(15)23/h3-11H,2H2,1H3