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

Systemtic Name: (phenylmethyl) 2-(6-bromanyl-2-oxidanylidene-1,3-benzothiazol-3-yl)ethanoate Openeye Name: benzyl 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 (phenylmethyl) ester IUPAC Name: benzyl 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 benzyl ester Formula: C16H12BrNO3S MolecularWeight: 378.24038

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)CN2C3=C(C=C(C=C3)Br)SC2=O

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)CN2C3=C(C=C(C=C3)Br)SC2=O

InChI

InChI=1S/C16H12BrNO3S/c17-12-6-7-13-14(8-12)22-16(20)18(13)9-15(19)21-10-11-4-2-1-3-5-11/h1-8H,9-10H2