ethyl 4-[(4-methyl-2-methylsulfanyl-6-oxidanylidene-pyrimidin-1-yl)methyl]benzoate

Systemtic Name: ethyl 4-[(4-methyl-2-methylsulfanyl-6-oxidanylidene-pyrimidin-1-yl)methyl]benzoate Openeye Name: ethyl 4-[(4-methyl-2-methylsulfanyl-6-oxo-pyrimidin-1-yl)methyl]benzoate CAS Name: 4-[[4-methyl-2-(methylthio)-6-oxo-1-pyrimidinyl]methyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(4-methyl-2-methylsulfanyl-6-oxopyrimidin-1-yl)methyl]benzoate Traditional Name: 4-[[6-keto-4-methyl-2-(methylthio)pyrimidin-1-yl]methyl]benzoic acid ethyl ester Formula: C16H18N2O3S MolecularWeight: 318.39072

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)CN2C(=O)C=C(N=C2SC)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)CN2C(=O)C=C(N=C2SC)C

InChI

InChI=1S/C16H18N2O3S/c1-4-21-15(20)13-7-5-12(6-8-13)10-18-14(19)9-11(2)17-16(18)22-3/h5-9H,4,10H2,1-3H3