methyl 2-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanylethanoate

Systemtic Name: methyl 2-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanylethanoate Openeye Name: methyl 2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridyl)sulfanyl]acetate CAS Name: 2-[[5-(1-pyrrolidinylsulfonyl)-2-pyridinyl]thio]acetic acid methyl ester IUPAC Name: methyl 2-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanylacetate Traditional Name: 2-[(5-pyrrolidinosulfonyl-2-pyridyl)thio]acetic acid methyl ester Formula: C12H16N2O4S2 MolecularWeight: 316.39644

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CSC1=NC=C(C=C1)S(=O)(=O)N2CCCC2

Isomeric SMILES

COC(=O)CSC1=NC=C(C=C1)S(=O)(=O)N2CCCC2

InChI

InChI=1S/C12H16N2O4S2/c1-18-12(15)9-19-11-5-4-10(8-13-11)20(16,17)14-6-2-3-7-14/h4-5,8H,2-3,6-7,9H2,1H3