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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C2=C(C=C(C=C2)C(C)C)SC1=NS(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CCOC(=O)CN\1C2=C(C=C(C=C2)C(C)C)S/C1=N\S(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C20H21FN2O4S2/c1-4-27-19(24)12-23-17-10-5-14(13(2)3)11-18(17)28-20(23)22-29(25,26)16-8-6-15(21)7-9-16/h5-11,13H,4,12H2,1-3H3/b22-20-