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

Systemtic Name: methyl 4-[(4-methyl-2-methylsulfanyl-6-oxidanylidene-pyrimidin-1-yl)methyl]benzoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C15H16N2O3S MolecularWeight: 304.36414

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N(C(=N1)SC)CC2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

CC1=CC(=O)N(C(=N1)SC)CC2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C15H16N2O3S/c1-10-8-13(18)17(15(16-10)21-3)9-11-4-6-12(7-5-11)14(19)20-2/h4-8H,9H2,1-3H3