(2-chloranyl-7-methoxy-quinolin-3-yl)methyl 3-oxidanylidene-4H-1,4-benzothiazine-6-carboxylate

Systemtic Name: (2-chloranyl-7-methoxy-quinolin-3-yl)methyl 3-oxidanylidene-4H-1,4-benzothiazine-6-carboxylate Openeye Name: (2-chloro-7-methoxy-3-quinolyl)methyl 3-oxo-4H-1,4-benzothiazine-6-carboxylate CAS Name: 3-oxo-4H-1,4-benzothiazine-6-carboxylic acid (2-chloro-7-methoxy-3-quinolinyl)methyl ester IUPAC Name: (2-chloro-7-methoxyquinolin-3-yl)methyl 3-oxo-4H-1,4-benzothiazine-6-carboxylate Traditional Name: 3-keto-4H-1,4-benzothiazine-6-carboxylic acid (2-chloro-7-methoxy-3-quinolyl)methyl ester Formula: C20H15ClN2O4S MolecularWeight: 414.8621

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=NC(=C(C=C2C=C1)COC(=O)C3=CC4=C(C=C3)SCC(=O)N4)Cl

Isomeric SMILES

COC1=CC2=NC(=C(C=C2C=C1)COC(=O)C3=CC4=C(C=C3)SCC(=O)N4)Cl

InChI

InChI=1S/C20H15ClN2O4S/c1-26-14-4-2-11-6-13(19(21)23-15(11)8-14)9-27-20(25)12-3-5-17-16(7-12)22-18(24)10-28-17/h2-8H,9-10H2,1H3,(H,22,24)