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

Systemtic Name: methyl 2-[(2Z)-6-ethoxy-2-(4-fluorophenyl)sulfonylimino-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[(2Z)-6-ethoxy-2-(4-fluorophenyl)sulfonylimino-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[(2Z)-6-ethoxy-2-(4-fluorophenyl)sulfonylimino-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[(2Z)-6-ethoxy-2-(4-fluorophenyl)sulfonylimino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[(2Z)-6-ethoxy-2-(4-fluorophenyl)sulfonylimino-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C18H17FN2O5S2 MolecularWeight: 424.466383

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N(C(=NS(=O)(=O)C3=CC=C(C=C3)F)S2)CC(=O)OC

Isomeric SMILES

CCOC1=CC2=C(C=C1)N(/C(=N/S(=O)(=O)C3=CC=C(C=C3)F)/S2)CC(=O)OC

InChI

InChI=1S/C18H17FN2O5S2/c1-3-26-13-6-9-15-16(10-13)27-18(21(15)11-17(22)25-2)20-28(23,24)14-7-4-12(19)5-8-14/h4-10H,3,11H2,1-2H3/b20-18-