methyl 2-[(1,4,5-trimethyl-6-oxidanylidene-pyrimidin-2-yl)sulfanylmethyl]benzoate

Systemtic Name: methyl 2-[(1,4,5-trimethyl-6-oxidanylidene-pyrimidin-2-yl)sulfanylmethyl]benzoate Openeye Name: methyl 2-[(1,4,5-trimethyl-6-oxo-pyrimidin-2-yl)sulfanylmethyl]benzoate CAS Name: 2-[[(1,4,5-trimethyl-6-oxo-2-pyrimidinyl)thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 2-[(1,4,5-trimethyl-6-oxopyrimidin-2-yl)sulfanylmethyl]benzoate Traditional Name: 2-[[(6-keto-1,4,5-trimethyl-pyrimidin-2-yl)thio]methyl]benzoic acid methyl ester Formula: C16H18N2O3S MolecularWeight: 318.39072

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(N(C1=O)C)SCC2=CC=CC=C2C(=O)OC)C

Isomeric SMILES

CC1=C(N=C(N(C1=O)C)SCC2=CC=CC=C2C(=O)OC)C

InChI

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