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

Systemtic Name: methyl 2-[(2Z)-6-butyl-2-(4-fluorophenyl)sulfonylimino-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[(2Z)-6-butyl-2-(4-fluorophenyl)sulfonylimino-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[(2Z)-6-butyl-2-(4-fluorophenyl)sulfonylimino-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[(2Z)-6-butyl-2-(4-fluorophenyl)sulfonylimino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[(2Z)-6-butyl-2-(4-fluorophenyl)sulfonylimino-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C20H21FN2O4S2 MolecularWeight: 436.520143

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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)F)S2)CC(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C20H21FN2O4S2/c1-3-4-5-14-6-11-17-18(12-14)28-20(23(17)13-19(24)27-2)22-29(25,26)16-9-7-15(21)8-10-16/h6-12H,3-5,13H2,1-2H3/b22-20-