ethyl 1-methyl-6-oxidanylidene-2-phenethylsulfanyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 1-methyl-6-oxidanylidene-2-phenethylsulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 1-methyl-6-oxo-2-phenethylsulfanyl-pyrimidine-5-carboxylate CAS Name: 1-methyl-6-oxo-2-(phenethylthio)-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-methyl-6-oxo-2-phenethylsulfanylpyrimidine-5-carboxylate Traditional Name: 6-keto-1-methyl-2-(phenethylthio)pyrimidine-5-carboxylic acid ethyl ester Formula: C16H18N2O3S MolecularWeight: 318.39072

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N(C1=O)C)SCCC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)C1=CN=C(N(C1=O)C)SCCC2=CC=CC=C2

InChI

InChI=1S/C16H18N2O3S/c1-3-21-15(20)13-11-17-16(18(2)14(13)19)22-10-9-12-7-5-4-6-8-12/h4-8,11H,3,9-10H2,1-2H3