7-methoxy-4-[(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanylmethyl]chromen-2-one

Systemtic Name: 7-methoxy-4-[(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanylmethyl]chromen-2-one Openeye Name: 7-methoxy-4-[(5-pyrrolidin-1-ylsulfonyl-2-pyridyl)sulfanylmethyl]chromen-2-one CAS Name: 7-methoxy-4-[[[5-(1-pyrrolidinylsulfonyl)-2-pyridinyl]thio]methyl]-1-benzopyran-2-one IUPAC Name: 7-methoxy-4-[(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanylmethyl]chromen-2-one Traditional Name: 7-methoxy-4-[[(5-pyrrolidinosulfonyl-2-pyridyl)thio]methyl]coumarin Formula: C20H20N2O5S2 MolecularWeight: 432.5132

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NC=C(C=C3)S(=O)(=O)N4CCCC4

Isomeric SMILES

COC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NC=C(C=C3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C20H20N2O5S2/c1-26-15-4-6-17-14(10-20(23)27-18(17)11-15)13-28-19-7-5-16(12-21-19)29(24,25)22-8-2-3-9-22/h4-7,10-12H,2-3,8-9,13H2,1H3