methyl 2-(5-morpholin-4-ylsulfonylpyridin-2-yl)sulfanylethanoate

Systemtic Name: methyl 2-(5-morpholin-4-ylsulfonylpyridin-2-yl)sulfanylethanoate Openeye Name: methyl 2-[(5-morpholinosulfonyl-2-pyridyl)sulfanyl]acetate CAS Name: 2-[[5-(4-morpholinylsulfonyl)-2-pyridinyl]thio]acetic acid methyl ester IUPAC Name: methyl 2-(5-morpholin-4-ylsulfonylpyridin-2-yl)sulfanylacetate Traditional Name: 2-[(5-morpholinosulfonyl-2-pyridyl)thio]acetic acid methyl ester Formula: C12H16N2O5S2 MolecularWeight: 332.39584

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CSC1=NC=C(C=C1)S(=O)(=O)N2CCOCC2

Isomeric SMILES

COC(=O)CSC1=NC=C(C=C1)S(=O)(=O)N2CCOCC2

InChI

InChI=1S/C12H16N2O5S2/c1-18-12(15)9-20-11-3-2-10(8-13-11)21(16,17)14-4-6-19-7-5-14/h2-3,8H,4-7,9H2,1H3