tert-butyl 4-[4-[(2-acetamido-1,3-benzothiazol-4-yl)oxy]-6-[4-(trifluoromethyl)phenyl]pyrimidin-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate

Systemtic Name: tert-butyl 4-[4-[(2-acetamido-1,3-benzothiazol-4-yl)oxy]-6-[4-(trifluoromethyl)phenyl]pyrimidin-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate Openeye Name: tert-butyl 4-[4-[(2-acetamido-1,3-benzothiazol-4-yl)oxy]-6-[4-(trifluoromethyl)phenyl]pyrimidin-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate CAS Name: 4-[4-[(2-acetamido-1,3-benzothiazol-4-yl)oxy]-6-[4-(trifluoromethyl)phenyl]-2-pyrimidinyl]-3,6-dihydro-2H-pyridine-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-[(2-acetamido-1,3-benzothiazol-4-yl)oxy]-6-[4-(trifluoromethyl)phenyl]pyrimidin-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate Traditional Name: 4-[4-[(2-acetamido-1,3-benzothiazol-4-yl)oxy]-6-[4-(trifluoromethyl)phenyl]pyrimidin-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid tert-butyl ester Formula: C30H28F3N5O4S MolecularWeight: 611.63463

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=NC2=C(C=CC=C2S1)OC3=NC(=NC(=C3)C4=CC=C(C=C4)C(F)(F)F)C5=CCN(CC5)C(=O)OC(C)(C)C

Isomeric SMILES

CC(=O)NC1=NC2=C(C=CC=C2S1)OC3=NC(=NC(=C3)C4=CC=C(C=C4)C(F)(F)F)C5=CCN(CC5)C(=O)OC(C)(C)C

InChI

InChI=1S/C30H28F3N5O4S/c1-17(39)34-27-37-25-22(6-5-7-23(25)43-27)41-24-16-21(18-8-10-20(11-9-18)30(31,32)33)35-26(36-24)19-12-14-38(15-13-19)28(40)42-29(2,3)4/h5-12,16H,13-15H2,1-4H3,(H,34,37,39)