7-bromanyl-4-[(5-pyrrolidin-1-ylcarbonylpyridin-2-yl)sulfanylmethyl]chromen-2-one

Systemtic Name: 7-bromanyl-4-[(5-pyrrolidin-1-ylcarbonylpyridin-2-yl)sulfanylmethyl]chromen-2-one Openeye Name: 7-bromo-4-[[5-(pyrrolidine-1-carbonyl)-2-pyridyl]sulfanylmethyl]chromen-2-one CAS Name: 7-bromo-4-[[[5-[oxo(1-pyrrolidinyl)methyl]-2-pyridinyl]thio]methyl]-1-benzopyran-2-one IUPAC Name: 7-bromo-4-[[5-(pyrrolidine-1-carbonyl)pyridin-2-yl]sulfanylmethyl]chromen-2-one Traditional Name: 7-bromo-4-[[[5-(pyrrolidine-1-carbonyl)-2-pyridyl]thio]methyl]coumarin Formula: C20H17BrN2O3S MolecularWeight: 445.32958

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C2=CN=C(C=C2)SCC3=CC(=O)OC4=C3C=CC(=C4)Br

Isomeric SMILES

C1CCN(C1)C(=O)C2=CN=C(C=C2)SCC3=CC(=O)OC4=C3C=CC(=C4)Br

InChI

InChI=1S/C20H17BrN2O3S/c21-15-4-5-16-14(9-19(24)26-17(16)10-15)12-27-18-6-3-13(11-22-18)20(25)23-7-1-2-8-23/h3-6,9-11H,1-2,7-8,12H2