methyl 2-[6-bromanyl-2-[2-(4-methylsulfonylphenyl)ethanoylimino]-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: methyl 2-[6-bromanyl-2-[2-(4-methylsulfonylphenyl)ethanoylimino]-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[6-bromo-2-[2-(4-methylsulfonylphenyl)acetyl]imino-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[6-bromo-2-[2-(4-methylsulfonylphenyl)-1-oxoethyl]imino-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[6-bromo-2-[2-(4-methylsulfonylphenyl)acetyl]imino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[6-bromo-2-[2-(4-mesylphenyl)acetyl]imino-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C19H17BrN2O5S2 MolecularWeight: 497.38268

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN1C2=C(C=C(C=C2)Br)SC1=NC(=O)CC3=CC=C(C=C3)S(=O)(=O)C

Isomeric SMILES

COC(=O)CN1C2=C(C=C(C=C2)Br)SC1=NC(=O)CC3=CC=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C19H17BrN2O5S2/c1-27-18(24)11-22-15-8-5-13(20)10-16(15)28-19(22)21-17(23)9-12-3-6-14(7-4-12)29(2,25)26/h3-8,10H,9,11H2,1-2H3