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

Systemtic Name: methyl 2-[(2Z)-6-butyl-2-(phenylsulfonylimino)-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C20H22N2O4S2 MolecularWeight: 418.52968

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O4S2/c1-3-4-8-15-11-12-17-18(13-15)27-20(22(17)14-19(23)26-2)21-28(24,25)16-9-6-5-7-10-16/h5-7,9-13H,3-4,8,14H2,1-2H3/b21-20-