6-[2-(5-pyrrolidin-1-ylcarbonylpyridin-2-yl)sulfanylethanoyl]-4H-1,4-benzoxazin-3-one

Systemtic Name: 6-[2-(5-pyrrolidin-1-ylcarbonylpyridin-2-yl)sulfanylethanoyl]-4H-1,4-benzoxazin-3-one Openeye Name: 6-[2-[[5-(pyrrolidine-1-carbonyl)-2-pyridyl]sulfanyl]acetyl]-4H-1,4-benzoxazin-3-one CAS Name: 6-[1-oxo-2-[[5-[oxo(1-pyrrolidinyl)methyl]-2-pyridinyl]thio]ethyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 6-[2-[5-(pyrrolidine-1-carbonyl)pyridin-2-yl]sulfanylacetyl]-4H-1,4-benzoxazin-3-one Traditional Name: 6-[2-[[5-(pyrrolidine-1-carbonyl)-2-pyridyl]thio]acetyl]-4H-1,4-benzoxazin-3-one Formula: C20H19N3O4S MolecularWeight: 397.44756

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C2=CN=C(C=C2)SCC(=O)C3=CC4=C(C=C3)OCC(=O)N4

Isomeric SMILES

C1CCN(C1)C(=O)C2=CN=C(C=C2)SCC(=O)C3=CC4=C(C=C3)OCC(=O)N4

InChI

InChI=1S/C20H19N3O4S/c24-16(13-3-5-17-15(9-13)22-18(25)11-27-17)12-28-19-6-4-14(10-21-19)20(26)23-7-1-2-8-23/h3-6,9-10H,1-2,7-8,11-12H2,(H,22,25)