methyl 4-[(6-ethyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanylmethyl]benzoate

Systemtic Name: methyl 4-[(6-ethyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanylmethyl]benzoate Openeye Name: methyl 4-[(6-ethyl-4-oxo-1H-pyrimidin-2-yl)sulfanylmethyl]benzoate CAS Name: 4-[[(6-ethyl-4-oxo-1H-pyrimidin-2-yl)thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(6-ethyl-4-oxo-1H-pyrimidin-2-yl)sulfanylmethyl]benzoate Traditional Name: 4-[[(6-ethyl-4-keto-1H-pyrimidin-2-yl)thio]methyl]benzoic acid methyl ester Formula: C15H16N2O3S MolecularWeight: 304.36414

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=O)N=C(N1)SCC2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

CCC1=CC(=O)N=C(N1)SCC2=CC=C(C=C2)C(=O)OC

InChI

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