ethyl 2-[1,4-dimethyl-5-[(2-methylphenyl)methyl]-6-oxidanylidene-pyrimidin-2-yl]sulfanylethanoate

Systemtic Name: ethyl 2-[1,4-dimethyl-5-[(2-methylphenyl)methyl]-6-oxidanylidene-pyrimidin-2-yl]sulfanylethanoate Openeye Name: ethyl 2-[1,4-dimethyl-5-(o-tolylmethyl)-6-oxo-pyrimidin-2-yl]sulfanylacetate CAS Name: 2-[[1,4-dimethyl-5-[(2-methylphenyl)methyl]-6-oxo-2-pyrimidinyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[1,4-dimethyl-5-[(2-methylphenyl)methyl]-6-oxopyrimidin-2-yl]sulfanylacetate Traditional Name: 2-[[6-keto-1,4-dimethyl-5-(2-methylbenzyl)pyrimidin-2-yl]thio]acetic acid ethyl ester Formula: C18H22N2O3S MolecularWeight: 346.44388

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NC(=C(C(=O)N1C)CC2=CC=CC=C2C)C

Isomeric SMILES

CCOC(=O)CSC1=NC(=C(C(=O)N1C)CC2=CC=CC=C2C)C

InChI

InChI=1S/C18H22N2O3S/c1-5-23-16(21)11-24-18-19-13(3)15(17(22)20(18)4)10-14-9-7-6-8-12(14)2/h6-9H,5,10-11H2,1-4H3