methyl 5-[(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanylmethyl]furan-2-carboxylate

Systemtic Name: methyl 5-[(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanylmethyl]furan-2-carboxylate Openeye Name: methyl 5-[(5-pyrrolidin-1-ylsulfonyl-2-pyridyl)sulfanylmethyl]furan-2-carboxylate CAS Name: 5-[[[5-(1-pyrrolidinylsulfonyl)-2-pyridinyl]thio]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanylmethyl]furan-2-carboxylate Traditional Name: 5-[[(5-pyrrolidinosulfonyl-2-pyridyl)thio]methyl]furan-2-carboxylic acid methyl ester Formula: C16H18N2O5S2 MolecularWeight: 382.45452

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(O1)CSC2=NC=C(C=C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

COC(=O)C1=CC=C(O1)CSC2=NC=C(C=C2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C16H18N2O5S2/c1-22-16(19)14-6-4-12(23-14)11-24-15-7-5-13(10-17-15)25(20,21)18-8-2-3-9-18/h4-7,10H,2-3,8-9,11H2,1H3