methyl 3-[4-[2-[6-[(E)-N-methoxy-C-phenyl-carbonimidoyl]-2-oxidanylidene-1,3-benzothiazol-3-yl]ethoxy]phenyl]-2-[2,2,2-tris(fluoranyl)ethoxy]propanoate

Systemtic Name: methyl 3-[4-[2-[6-[(E)-N-methoxy-C-phenyl-carbonimidoyl]-2-oxidanylidene-1,3-benzothiazol-3-yl]ethoxy]phenyl]-2-[2,2,2-tris(fluoranyl)ethoxy]propanoate Openeye Name: methyl 3-[4-[2-[6-[(E)-N-methoxy-C-phenyl-carbonimidoyl]-2-oxo-1,3-benzothiazol-3-yl]ethoxy]phenyl]-2-(2,2,2-trifluoroethoxy)propanoate CAS Name: 3-[4-[2-[6-[(E)-methoxyimino(phenyl)methyl]-2-oxo-1,3-benzothiazol-3-yl]ethoxy]phenyl]-2-(2,2,2-trifluoroethoxy)propanoic acid methyl ester IUPAC Name: methyl 3-[4-[2-[6-[(E)-N-methoxy-C-phenylcarbonimidoyl]-2-oxo-1,3-benzothiazol-3-yl]ethoxy]phenyl]-2-(2,2,2-trifluoroethoxy)propanoate Traditional Name: 3-[4-[2-[2-keto-6-[(E)-N-methoxy-C-phenyl-carbonimidoyl]-1,3-benzothiazol-3-yl]ethoxy]phenyl]-2-(2,2,2-trifluoroethoxy)propionic acid methyl ester Formula: C29H27F3N2O6S MolecularWeight: 588.59469

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=C(C=C1)OCCN2C3=C(C=C(C=C3)C(=NOC)C4=CC=CC=C4)SC2=O)OCC(F)(F)F

Isomeric SMILES

COC(=O)C(CC1=CC=C(C=C1)OCCN2C3=C(C=C(C=C3)/C(=N/OC)/C4=CC=CC=C4)SC2=O)OCC(F)(F)F

InChI

InChI=1S/C29H27F3N2O6S/c1-37-27(35)24(40-18-29(30,31)32)16-19-8-11-22(12-9-19)39-15-14-34-23-13-10-21(17-25(23)41-28(34)36)26(33-38-2)20-6-4-3-5-7-20/h3-13,17,24H,14-16,18H2,1-2H3/b33-26+