(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 2-(3-oxidanylidene-4H-1,4-benzothiazin-2-yl)ethanoate

Systemtic Name: (6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 2-(3-oxidanylidene-4H-1,4-benzothiazin-2-yl)ethanoate Openeye Name: (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetate CAS Name: 2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetic acid (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl ester IUPAC Name: (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetate Traditional Name: 2-(3-keto-4H-1,4-benzothiazin-2-yl)acetic acid (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl ester Formula: C19H16BrNO5S MolecularWeight: 450.30304

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=C(C(=C2)Br)COC(=O)CC3C(=O)NC4=CC=CC=C4S3

Isomeric SMILES

C1COC2=C(O1)C=C(C(=C2)Br)COC(=O)CC3C(=O)NC4=CC=CC=C4S3

InChI

InChI=1S/C19H16BrNO5S/c20-12-8-15-14(24-5-6-25-15)7-11(12)10-26-18(22)9-17-19(23)21-13-3-1-2-4-16(13)27-17/h1-4,7-8,17H,5-6,9-10H2,(H,21,23)