ethyl 3-[(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanylmethyl]-1-benzofuran-2-carboxylate

Systemtic Name: ethyl 3-[(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanylmethyl]-1-benzofuran-2-carboxylate Openeye Name: ethyl 3-[(5-pyrrolidin-1-ylsulfonyl-2-pyridyl)sulfanylmethyl]benzofuran-2-carboxylate CAS Name: 3-[[[5-(1-pyrrolidinylsulfonyl)-2-pyridinyl]thio]methyl]-2-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 3-[(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanylmethyl]-1-benzofuran-2-carboxylate Traditional Name: 3-[[(5-pyrrolidinosulfonyl-2-pyridyl)thio]methyl]coumarilic acid ethyl ester Formula: C21H22N2O5S2 MolecularWeight: 446.53978

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2O1)CSC3=NC=C(C=C3)S(=O)(=O)N4CCCC4

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2O1)CSC3=NC=C(C=C3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C21H22N2O5S2/c1-2-27-21(24)20-17(16-7-3-4-8-18(16)28-20)14-29-19-10-9-15(13-22-19)30(25,26)23-11-5-6-12-23/h3-4,7-10,13H,2,5-6,11-12,14H2,1H3