methyl 3-[(5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-yl)sulfanylmethyl]benzoate

Systemtic Name: methyl 3-[(5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-yl)sulfanylmethyl]benzoate Openeye Name: methyl 3-[(5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-yl)sulfanylmethyl]benzoate CAS Name: 3-[[(5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-yl)thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[(5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-yl)sulfanylmethyl]benzoate Traditional Name: 3-[[(5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-yl)thio]methyl]benzoic acid methyl ester Formula: C15H20N2O2S MolecularWeight: 292.3965

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CNC(=NC1)SCC2=CC=CC(=C2)C(=O)OC)C

Isomeric SMILES

CC1(CNC(=NC1)SCC2=CC=CC(=C2)C(=O)OC)C

InChI

InChI=1S/C15H20N2O2S/c1-15(2)9-16-14(17-10-15)20-8-11-5-4-6-12(7-11)13(18)19-3/h4-7H,8-10H2,1-3H3,(H,16,17)