ethyl (4S)-4-(4-methoxyphenyl)-3,6-dimethyl-2-methylsulfanyl-4H-pyrimidine-5-carboxylate

Systemtic Name: ethyl (4S)-4-(4-methoxyphenyl)-3,6-dimethyl-2-methylsulfanyl-4H-pyrimidine-5-carboxylate Openeye Name: ethyl (4S)-4-(4-methoxyphenyl)-3,6-dimethyl-2-methylsulfanyl-4H-pyrimidine-5-carboxylate CAS Name: (4S)-4-(4-methoxyphenyl)-3,6-dimethyl-2-(methylthio)-4H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-4-(4-methoxyphenyl)-3,6-dimethyl-2-methylsulfanyl-4H-pyrimidine-5-carboxylate Traditional Name: (4S)-4-(4-methoxyphenyl)-3,6-dimethyl-2-(methylthio)-4H-pyrimidine-5-carboxylic acid ethyl ester Formula: C17H22N2O3S MolecularWeight: 334.43318

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(N(C1C2=CC=C(C=C2)OC)C)SC)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(N([C@H]1C2=CC=C(C=C2)OC)C)SC)C

InChI

InChI=1S/C17H22N2O3S/c1-6-22-16(20)14-11(2)18-17(23-5)19(3)15(14)12-7-9-13(21-4)10-8-12/h7-10,15H,6H2,1-5H3/t15-/m0/s1