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

Systemtic Name: ethyl 2-[(2Z)-6-butyl-2-(phenylsulfonylimino)-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[(2Z)-2-(benzenesulfonylimino)-6-butyl-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[(2Z)-2-(benzenesulfonylimino)-6-butyl-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[(2Z)-2-(benzenesulfonylimino)-6-butyl-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[(2Z)-2-besylimino-6-butyl-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C21H24N2O4S2 MolecularWeight: 432.55626

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O4S2/c1-3-5-9-16-12-13-18-19(14-16)28-21(23(18)15-20(24)27-4-2)22-29(25,26)17-10-7-6-8-11-17/h6-8,10-14H,3-5,9,15H2,1-2H3/b22-21-