4,4,4-tris(fluoranyl)-2-[4-methyl-2-[5-[3-methyl-2,6-bis(oxidanylidene)-4-(trifluoromethyl)pyrimidin-1-yl]-1,2-benzothiazol-3-yl]phenoxy]butanoate

Systemtic Name: 4,4,4-tris(fluoranyl)-2-[4-methyl-2-[5-[3-methyl-2,6-bis(oxidanylidene)-4-(trifluoromethyl)pyrimidin-1-yl]-1,2-benzothiazol-3-yl]phenoxy]butanoate Openeye Name: 4,4,4-trifluoro-2-[4-methyl-2-[5-[3-methyl-2,6-dioxo-4-(trifluoromethyl)pyrimidin-1-yl]-1,2-benzothiazol-3-yl]phenoxy]butanoate CAS Name: 4,4,4-trifluoro-2-[4-methyl-2-[5-[3-methyl-2,6-dioxo-4-(trifluoromethyl)-1-pyrimidinyl]-1,2-benzothiazol-3-yl]phenoxy]butanoate IUPAC Name: 4,4,4-trifluoro-2-[4-methyl-2-[5-[3-methyl-2,6-dioxo-4-(trifluoromethyl)pyrimidin-1-yl]-1,2-benzothiazol-3-yl]phenoxy]butanoate Traditional Name: 2-[2-[5-[2,6-diketo-3-methyl-4-(trifluoromethyl)pyrimidin-1-yl]-1,2-benzothiazol-3-yl]-4-methyl-phenoxy]-4,4,4-trifluoro-butyrate Formula: C24H16F6N3O5S- MolecularWeight: 572.456359

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC(CC(F)(F)F)C(=O)[O-])C2=NSC3=C2C=C(C=C3)N4C(=O)C=C(N(C4=O)C)C(F)(F)F

Isomeric SMILES

CC1=CC(=C(C=C1)OC(CC(F)(F)F)C(=O)[O-])C2=NSC3=C2C=C(C=C3)N4C(=O)C=C(N(C4=O)C)C(F)(F)F

InChI

InChI=1S/C24H17F6N3O5S/c1-11-3-5-15(38-16(21(35)36)10-23(25,26)27)13(7-11)20-14-8-12(4-6-17(14)39-31-20)33-19(34)9-18(24(28,29)30)32(2)22(33)37/h3-9,16H,10H2,1-2H3,(H,35,36)/p-1