(phenylmethyl) 1-(4-methoxyphenyl)-3-oxidanylidene-1-(trifluoromethyl)-2H-pyrimido[6,1-b][1,3]benzothiazole-4-carboxylate

Systemtic Name: (phenylmethyl) 1-(4-methoxyphenyl)-3-oxidanylidene-1-(trifluoromethyl)-2H-pyrimido[6,1-b][1,3]benzothiazole-4-carboxylate Openeye Name: benzyl 1-(4-methoxyphenyl)-3-oxo-1-(trifluoromethyl)-2H-pyrimido[6,1-b][1,3]benzothiazole-4-carboxylate CAS Name: 1-(4-methoxyphenyl)-3-oxo-1-(trifluoromethyl)-2H-pyrimido[6,1-b][1,3]benzothiazole-4-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 1-(4-methoxyphenyl)-3-oxo-1-(trifluoromethyl)-2H-pyrimido[6,1-b][1,3]benzothiazole-4-carboxylate Traditional Name: 3-keto-1-(4-methoxyphenyl)-1-(trifluoromethyl)-2H-pyrimido[6,1-b][1,3]benzothiazole-4-carboxylic acid benzyl ester Formula: C26H19F3N2O4S MolecularWeight: 512.50027

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2(NC(=O)C(=C3N2C4=CC=CC=C4S3)C(=O)OCC5=CC=CC=C5)C(F)(F)F

Isomeric SMILES

COC1=CC=C(C=C1)C2(NC(=O)C(=C3N2C4=CC=CC=C4S3)C(=O)OCC5=CC=CC=C5)C(F)(F)F

InChI

InChI=1S/C26H19F3N2O4S/c1-34-18-13-11-17(12-14-18)25(26(27,28)29)30-22(32)21(24(33)35-15-16-7-3-2-4-8-16)23-31(25)19-9-5-6-10-20(19)36-23/h2-14H,15H2,1H3,(H,30,32)