methyl 3-[(5-morpholin-4-ylsulfonylpyridin-2-yl)sulfanylmethyl]furan-2-carboxylate

Systemtic Name: methyl 3-[(5-morpholin-4-ylsulfonylpyridin-2-yl)sulfanylmethyl]furan-2-carboxylate Openeye Name: methyl 3-[(5-morpholinosulfonyl-2-pyridyl)sulfanylmethyl]furan-2-carboxylate CAS Name: 3-[[[5-(4-morpholinylsulfonyl)-2-pyridinyl]thio]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 3-[(5-morpholin-4-ylsulfonylpyridin-2-yl)sulfanylmethyl]furan-2-carboxylate Traditional Name: 3-[[(5-morpholinosulfonyl-2-pyridyl)thio]methyl]furan-2-carboxylic acid methyl ester Formula: C16H18N2O6S2 MolecularWeight: 398.45392

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CO1)CSC2=NC=C(C=C2)S(=O)(=O)N3CCOCC3

Isomeric SMILES

COC(=O)C1=C(C=CO1)CSC2=NC=C(C=C2)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C16H18N2O6S2/c1-22-16(19)15-12(4-7-24-15)11-25-14-3-2-13(10-17-14)26(20,21)18-5-8-23-9-6-18/h2-4,7,10H,5-6,8-9,11H2,1H3