[2-[ethoxy(ethylsulfanyl)methyl]-2-oxidanyl-pyrrolidin-1-yl]-(5-methoxy-2-nitro-4-oxidanyl-phenyl)methanone

Systemtic Name: [2-[ethoxy(ethylsulfanyl)methyl]-2-oxidanyl-pyrrolidin-1-yl]-(5-methoxy-2-nitro-4-oxidanyl-phenyl)methanone Openeye Name: [2-[ethoxy(ethylsulfanyl)methyl]-2-hydroxy-pyrrolidin-1-yl]-(4-hydroxy-5-methoxy-2-nitro-phenyl)methanone CAS Name: [2-[ethoxy-(ethylthio)methyl]-2-hydroxy-1-pyrrolidinyl]-(4-hydroxy-5-methoxy-2-nitrophenyl)methanone IUPAC Name: [2-[ethoxy(ethylsulfanyl)methyl]-2-hydroxypyrrolidin-1-yl]-(4-hydroxy-5-methoxy-2-nitrophenyl)methanone Traditional Name: [2-[ethoxy-(ethylthio)methyl]-2-hydroxy-pyrrolidino]-(4-hydroxy-5-methoxy-2-nitro-phenyl)methanone Formula: C17H24N2O7S MolecularWeight: 400.44666

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(C1(CCCN1C(=O)C2=CC(=C(C=C2[N+](=O)[O-])O)OC)O)SCC

Isomeric SMILES

CCOC(C1(CCCN1C(=O)C2=CC(=C(C=C2[N+](=O)[O-])O)OC)O)SCC

InChI

InChI=1S/C17H24N2O7S/c1-4-26-16(27-5-2)17(22)7-6-8-18(17)15(21)11-9-14(25-3)13(20)10-12(11)19(23)24/h9-10,16,20,22H,4-8H2,1-3H3