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

Systemtic Name: ethyl 2-[(2Z)-6-butyl-2-(4-methylphenyl)sulfonylimino-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[(2Z)-6-butyl-2-(p-tolylsulfonylimino)-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[(2Z)-6-butyl-2-(4-methylphenyl)sulfonylimino-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[(2Z)-6-butyl-2-(4-methylphenyl)sulfonylimino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[(2Z)-6-butyl-2-tosylimino-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C22H26N2O4S2 MolecularWeight: 446.58284

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=C(C=C1)N(C(=NS(=O)(=O)C3=CC=C(C=C3)C)S2)CC(=O)OCC

Isomeric SMILES

CCCCC1=CC2=C(C=C1)N(/C(=N/S(=O)(=O)C3=CC=C(C=C3)C)/S2)CC(=O)OCC

InChI

InChI=1S/C22H26N2O4S2/c1-4-6-7-17-10-13-19-20(14-17)29-22(24(19)15-21(25)28-5-2)23-30(26,27)18-11-8-16(3)9-12-18/h8-14H,4-7,15H2,1-3H3/b23-22-