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

Systemtic Name: methyl 4-[(6-oxidanylidene-1H-pyrimidin-2-yl)sulfanylmethyl]benzoate Openeye Name: methyl 4-[(6-oxo-1H-pyrimidin-2-yl)sulfanylmethyl]benzoate CAS Name: 4-[[(6-oxo-1H-pyrimidin-2-yl)thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(6-oxo-1H-pyrimidin-2-yl)sulfanylmethyl]benzoate Traditional Name: 4-[[(6-keto-1H-pyrimidin-2-yl)thio]methyl]benzoic acid methyl ester Formula: C13H12N2O3S MolecularWeight: 276.31098

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CSC2=NC=CC(=O)N2

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CSC2=NC=CC(=O)N2

InChI

InChI=1S/C13H12N2O3S/c1-18-12(17)10-4-2-9(3-5-10)8-19-13-14-7-6-11(16)15-13/h2-7H,8H2,1H3,(H,14,15,16)