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

Systemtic Name: [2-[bis(ethylsulfanyl)methyl]-4-methyl-pyrrolidin-1-yl]-(5-methoxy-2-nitro-4-oxidanyl-phenyl)methanone Openeye Name: [2-[bis(ethylsulfanyl)methyl]-4-methyl-pyrrolidin-1-yl]-(4-hydroxy-5-methoxy-2-nitro-phenyl)methanone CAS Name: [2-[bis(ethylthio)methyl]-4-methyl-1-pyrrolidinyl]-(4-hydroxy-5-methoxy-2-nitrophenyl)methanone IUPAC Name: [2-[bis(ethylsulfanyl)methyl]-4-methylpyrrolidin-1-yl]-(4-hydroxy-5-methoxy-2-nitrophenyl)methanone Traditional Name: [2-[bis(ethylthio)methyl]-4-methyl-pyrrolidino]-(4-hydroxy-5-methoxy-2-nitro-phenyl)methanone Formula: C18H26N2O5S2 MolecularWeight: 414.53944

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Descriptors Computed from Structure

Canonical SMILES:

CCSC(C1CC(CN1C(=O)C2=CC(=C(C=C2[N+](=O)[O-])O)OC)C)SCC

Isomeric SMILES

CCSC(C1CC(CN1C(=O)C2=CC(=C(C=C2[N+](=O)[O-])O)OC)C)SCC

InChI

InChI=1S/C18H26N2O5S2/c1-5-26-18(27-6-2)14-7-11(3)10-19(14)17(22)12-8-16(25-4)15(21)9-13(12)20(23)24/h8-9,11,14,18,21H,5-7,10H2,1-4H3