ethyl 2-[4-methyl-6-oxidanylidene-2-(phenylmethylsulfanyl)pyrimidin-1-yl]ethanoate

Systemtic Name: ethyl 2-[4-methyl-6-oxidanylidene-2-(phenylmethylsulfanyl)pyrimidin-1-yl]ethanoate Openeye Name: ethyl 2-(2-benzylsulfanyl-4-methyl-6-oxo-pyrimidin-1-yl)acetate CAS Name: 2-[4-methyl-6-oxo-2-(phenylmethylthio)-1-pyrimidinyl]acetic acid ethyl ester IUPAC Name: ethyl 2-(2-benzylsulfanyl-4-methyl-6-oxopyrimidin-1-yl)acetate Traditional Name: 2-[2-(benzylthio)-6-keto-4-methyl-pyrimidin-1-yl]acetic acid ethyl ester Formula: C16H18N2O3S MolecularWeight: 318.39072

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C(=O)C=C(N=C1SCC2=CC=CC=C2)C

Isomeric SMILES

CCOC(=O)CN1C(=O)C=C(N=C1SCC2=CC=CC=C2)C

InChI

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