3-methylbutyl 2-(6-bromanyl-2-oxidanylidene-1,3-benzothiazol-3-yl)ethanoate

Systemtic Name: 3-methylbutyl 2-(6-bromanyl-2-oxidanylidene-1,3-benzothiazol-3-yl)ethanoate Openeye Name: isopentyl 2-(6-bromo-2-oxo-1,3-benzothiazol-3-yl)acetate CAS Name: 2-(6-bromo-2-oxo-1,3-benzothiazol-3-yl)acetic acid 3-methylbutyl ester IUPAC Name: 3-methylbutyl 2-(6-bromo-2-oxo-1,3-benzothiazol-3-yl)acetate Traditional Name: 2-(6-bromo-2-keto-1,3-benzothiazol-3-yl)acetic acid isoamyl ester Formula: C14H16BrNO3S MolecularWeight: 358.25074

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC(=O)CN1C2=C(C=C(C=C2)Br)SC1=O

Isomeric SMILES

CC(C)CCOC(=O)CN1C2=C(C=C(C=C2)Br)SC1=O

InChI

InChI=1S/C14H16BrNO3S/c1-9(2)5-6-19-13(17)8-16-11-4-3-10(15)7-12(11)20-14(16)18/h3-4,7,9H,5-6,8H2,1-2H3