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

Systemtic Name: ethyl 2-(4-chlorophenyl)carbonyl-9-oxidanylidene-pyrrolo[2,1-b][1,3]benzothiazine-3-carboxylate Openeye Name: ethyl 2-(4-chlorobenzoyl)-9-oxo-pyrrolo[2,1-b][1,3]benzothiazine-3-carboxylate CAS Name: 2-[(4-chlorophenyl)-oxomethyl]-9-oxo-3-pyrrolo[2,1-b][1,3]benzothiazinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(4-chlorobenzoyl)-9-oxopyrrolo[2,1-b][1,3]benzothiazine-3-carboxylate Traditional Name: 2-(4-chlorobenzoyl)-9-keto-pyrrolo[2,1-b][1,3]benzothiazine-3-carboxylic acid ethyl ester Formula: C21H14ClNO4S MolecularWeight: 411.85816

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C2N(C=C1C(=O)C3=CC=C(C=C3)Cl)C(=O)C4=CC=CC=C4S2

Isomeric SMILES

CCOC(=O)C1=C2N(C=C1C(=O)C3=CC=C(C=C3)Cl)C(=O)C4=CC=CC=C4S2

InChI

InChI=1S/C21H14ClNO4S/c1-2-27-21(26)17-15(18(24)12-7-9-13(22)10-8-12)11-23-19(25)14-5-3-4-6-16(14)28-20(17)23/h3-11H,2H2,1H3