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

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

CCC1=CC2=C(C=C1)N(C(=NS(=O)(=O)C3=CC=C(C=C3)C)S2)CC(=O)OCC

Isomeric SMILES

CCC1=CC2=C(C=C1)N(/C(=N/S(=O)(=O)C3=CC=C(C=C3)C)/S2)CC(=O)OCC

InChI

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