O5-ethyl O3-propan-2-yl 6-methyl-2-sulfanylidene-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyrimidine-3,5-dicarboxylate

Systemtic Name: O5-ethyl O3-propan-2-yl 6-methyl-2-sulfanylidene-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyrimidine-3,5-dicarboxylate Openeye Name: O5-ethyl O3-isopropyl 6-methyl-2-thioxo-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyrimidine-3,5-dicarboxylate CAS Name: 6-methyl-2-sulfanylidene-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyrimidine-3,5-dicarboxylic acid O5-ethyl ester O3-propan-2-yl ester IUPAC Name: 5-O-ethyl 3-O-propan-2-yl 6-methyl-2-sulfanylidene-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyrimidine-3,5-dicarboxylate Traditional Name: 6-methyl-2-thioxo-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyrimidine-3,5-dicarboxylic acid O5-ethyl ester O3-isopropyl ester Formula: C19H21F3N2O4S MolecularWeight: 430.44125

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=S)N(C1C2=CC=CC=C2C(F)(F)F)C(=O)OC(C)C)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=S)N(C1C2=CC=CC=C2C(F)(F)F)C(=O)OC(C)C)C

InChI

InChI=1S/C19H21F3N2O4S/c1-5-27-16(25)14-11(4)23-17(29)24(18(26)28-10(2)3)15(14)12-8-6-7-9-13(12)19(20,21)22/h6-10,15H,5H2,1-4H3,(H,23,29)