(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl 2-methyl-3-oxidanylidene-4H-1,4-benzothiazine-6-carboxylate

Systemtic Name: (6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl 2-methyl-3-oxidanylidene-4H-1,4-benzothiazine-6-carboxylate Openeye Name: (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl 2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxylate CAS Name: 2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxylic acid (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl ester IUPAC Name: (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl 2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxylate Traditional Name: 3-keto-2-methyl-4H-1,4-benzothiazine-6-carboxylic acid (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl ester Formula: C20H18ClNO5S MolecularWeight: 419.87862

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)NC2=C(S1)C=CC(=C2)C(=O)OCC3=CC4=C(C(=C3)Cl)OCCCO4

Isomeric SMILES

CC1C(=O)NC2=C(S1)C=CC(=C2)C(=O)OCC3=CC4=C(C(=C3)Cl)OCCCO4

InChI

InChI=1S/C20H18ClNO5S/c1-11-19(23)22-15-9-13(3-4-17(15)28-11)20(24)27-10-12-7-14(21)18-16(8-12)25-5-2-6-26-18/h3-4,7-9,11H,2,5-6,10H2,1H3,(H,22,23)