methyl 3-[(1,4-dimethyl-6-oxidanylidene-pyrimidin-2-yl)sulfanylmethyl]benzoate

Systemtic Name: methyl 3-[(1,4-dimethyl-6-oxidanylidene-pyrimidin-2-yl)sulfanylmethyl]benzoate Openeye Name: methyl 3-[(1,4-dimethyl-6-oxo-pyrimidin-2-yl)sulfanylmethyl]benzoate CAS Name: 3-[[(1,4-dimethyl-6-oxo-2-pyrimidinyl)thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[(1,4-dimethyl-6-oxopyrimidin-2-yl)sulfanylmethyl]benzoate Traditional Name: 3-[[(6-keto-1,4-dimethyl-pyrimidin-2-yl)thio]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)SCC2=CC=CC(=C2)C(=O)OC)C

Isomeric SMILES

CC1=CC(=O)N(C(=N1)SCC2=CC=CC(=C2)C(=O)OC)C

InChI

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