ethyl 2-[(2Z)-6-methyl-2-(4-methylphenyl)sulfonylimino-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: ethyl 2-[(2Z)-6-methyl-2-(4-methylphenyl)sulfonylimino-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[(2Z)-6-methyl-2-(p-tolylsulfonylimino)-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[(2Z)-6-methyl-2-(4-methylphenyl)sulfonylimino-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[(2Z)-6-methyl-2-(4-methylphenyl)sulfonylimino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[(2Z)-6-methyl-2-tosylimino-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C19H20N2O4S2 MolecularWeight: 404.5031

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C2=C(C=C(C=C2)C)SC1=NS(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCOC(=O)CN\1C2=C(C=C(C=C2)C)S/C1=N\S(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C19H20N2O4S2/c1-4-25-18(22)12-21-16-10-7-14(3)11-17(16)26-19(21)20-27(23,24)15-8-5-13(2)6-9-15/h5-11H,4,12H2,1-3H3/b20-19-