methyl 2-[[6-oxidanylidene-5-(phenylsulfonyl)-1H-pyrimidin-2-yl]sulfanyl]ethanoate

Systemtic Name: methyl 2-[[6-oxidanylidene-5-(phenylsulfonyl)-1H-pyrimidin-2-yl]sulfanyl]ethanoate Openeye Name: methyl 2-[[5-(benzenesulfonyl)-6-oxo-1H-pyrimidin-2-yl]sulfanyl]acetate CAS Name: 2-[[5-(benzenesulfonyl)-6-oxo-1H-pyrimidin-2-yl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[[5-(benzenesulfonyl)-6-oxo-1H-pyrimidin-2-yl]sulfanyl]acetate Traditional Name: 2-[(5-besyl-6-keto-1H-pyrimidin-2-yl)thio]acetic acid methyl ester Formula: C13H12N2O5S2 MolecularWeight: 340.37478

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CSC1=NC=C(C(=O)N1)S(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

COC(=O)CSC1=NC=C(C(=O)N1)S(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C13H12N2O5S2/c1-20-11(16)8-21-13-14-7-10(12(17)15-13)22(18,19)9-5-3-2-4-6-9/h2-7H,8H2,1H3,(H,14,15,17)