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

Systemtic Name: [(2S)-2-[ethoxy(ethylsulfanyl)methyl]pyrrolidin-1-yl]-(5-methoxy-2-nitro-4-oxidanyl-phenyl)methanone Openeye Name: [(2S)-2-[ethoxy(ethylsulfanyl)methyl]pyrrolidin-1-yl]-(4-hydroxy-5-methoxy-2-nitro-phenyl)methanone CAS Name: [(2S)-2-[ethoxy-(ethylthio)methyl]-1-pyrrolidinyl]-(4-hydroxy-5-methoxy-2-nitrophenyl)methanone IUPAC Name: [(2S)-2-[ethoxy(ethylsulfanyl)methyl]pyrrolidin-1-yl]-(4-hydroxy-5-methoxy-2-nitrophenyl)methanone Traditional Name: [(2S)-2-[ethoxy-(ethylthio)methyl]pyrrolidino]-(4-hydroxy-5-methoxy-2-nitro-phenyl)methanone Formula: C17H24N2O6S MolecularWeight: 384.44726

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(C1CCCN1C(=O)C2=CC(=C(C=C2[N+](=O)[O-])O)OC)SCC

Isomeric SMILES

CCOC([C@@H]1CCCN1C(=O)C2=CC(=C(C=C2[N+](=O)[O-])O)OC)SCC

InChI

InChI=1S/C17H24N2O6S/c1-4-25-17(26-5-2)12-7-6-8-18(12)16(21)11-9-15(24-3)14(20)10-13(11)19(22)23/h9-10,12,17,20H,4-8H2,1-3H3/t12-,17?/m0/s1