ethyl 2-[(2Z)-5,7-dimethyl-2-(4-methylphenyl)sulfonylimino-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: ethyl 2-[(2Z)-5,7-dimethyl-2-(4-methylphenyl)sulfonylimino-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[(2Z)-5,7-dimethyl-2-(p-tolylsulfonylimino)-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[(2Z)-5,7-dimethyl-2-(4-methylphenyl)sulfonylimino-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[(2Z)-5,7-dimethyl-2-(4-methylphenyl)sulfonylimino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[(2Z)-5,7-dimethyl-2-tosylimino-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C20H22N2O4S2 MolecularWeight: 418.52968

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C2=CC(=CC(=C2SC1=NS(=O)(=O)C3=CC=C(C=C3)C)C)C

Isomeric SMILES

CCOC(=O)CN\1C2=CC(=CC(=C2S/C1=N\S(=O)(=O)C3=CC=C(C=C3)C)C)C

InChI

InChI=1S/C20H22N2O4S2/c1-5-26-18(23)12-22-17-11-14(3)10-15(4)19(17)27-20(22)21-28(24,25)16-8-6-13(2)7-9-16/h6-11H,5,12H2,1-4H3/b21-20-