ethyl 2-(2-phenylsulfanylpropan-2-yl)pyrimidine-5-carboxylate

Systemtic Name: ethyl 2-(2-phenylsulfanylpropan-2-yl)pyrimidine-5-carboxylate Openeye Name: ethyl 2-(1-methyl-1-phenylsulfanyl-ethyl)pyrimidine-5-carboxylate CAS Name: 2-[2-(phenylthio)propan-2-yl]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(2-phenylsulfanylpropan-2-yl)pyrimidine-5-carboxylate Traditional Name: 2-[1-methyl-1-(phenylthio)ethyl]pyrimidine-5-carboxylic acid ethyl ester Formula: C16H18N2O2S MolecularWeight: 302.39132

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1)C(C)(C)SC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1)C(C)(C)SC2=CC=CC=C2

InChI

InChI=1S/C16H18N2O2S/c1-4-20-14(19)12-10-17-15(18-11-12)16(2,3)21-13-8-6-5-7-9-13/h5-11H,4H2,1-3H3