4-(dimethylamino)-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-(dimethylamino)-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-(dimethylamino)-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-(dimethylamino)-2-[4-methyl-2-[5-[3-methyl-2,6-dioxo-4-(trifluoromethyl)-1-pyrimidinyl]-1,2-benzothiazol-3-yl]phenoxy]butanoate IUPAC Name: 4-(dimethylamino)-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-(dimethylamino)butyrate Formula: C26H24F3N4O5S- MolecularWeight: 561.55277

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C26H25F3N4O5S/c1-14-5-7-18(38-19(24(35)36)9-10-31(2)3)16(11-14)23-17-12-15(6-8-20(17)39-30-23)33-22(34)13-21(26(27,28)29)32(4)25(33)37/h5-8,11-13,19H,9-10H2,1-4H3,(H,35,36)/p-1