methyl 2-[6-methylsulfonyl-2-(phenylcarbonylimino)-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: methyl 2-[6-methylsulfonyl-2-(phenylcarbonylimino)-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-(2-benzoylimino-6-methylsulfonyl-1,3-benzothiazol-3-yl)acetate CAS Name: 2-(2-benzoylimino-6-methylsulfonyl-1,3-benzothiazol-3-yl)acetic acid methyl ester IUPAC Name: methyl 2-(2-benzoylimino-6-methylsulfonyl-1,3-benzothiazol-3-yl)acetate Traditional Name: 2-(2-benzoylimino-6-mesyl-1,3-benzothiazol-3-yl)acetic acid methyl ester Formula: C18H16N2O5S2 MolecularWeight: 404.46004

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16N2O5S2/c1-25-16(21)11-20-14-9-8-13(27(2,23)24)10-15(14)26-18(20)19-17(22)12-6-4-3-5-7-12/h3-10H,11H2,1-2H3