2-[4-[2-[ethoxy(ethylsulfanyl)methyl]pyrrolidin-1-yl]carbonyl-2-methoxy-5-nitro-phenoxy]ethanoic acid

Systemtic Name: 2-[4-[2-[ethoxy(ethylsulfanyl)methyl]pyrrolidin-1-yl]carbonyl-2-methoxy-5-nitro-phenoxy]ethanoic acid Openeye Name: 2-[4-[2-[ethoxy(ethylsulfanyl)methyl]pyrrolidine-1-carbonyl]-2-methoxy-5-nitro-phenoxy]acetic acid CAS Name: 2-[4-[[2-[ethoxy-(ethylthio)methyl]-1-pyrrolidinyl]-oxomethyl]-2-methoxy-5-nitrophenoxy]acetic acid IUPAC Name: 2-[4-[2-[ethoxy(ethylsulfanyl)methyl]pyrrolidine-1-carbonyl]-2-methoxy-5-nitrophenoxy]acetic acid Traditional Name: 2-[4-[2-[ethoxy-(ethylthio)methyl]pyrrolidine-1-carbonyl]-2-methoxy-5-nitro-phenoxy]acetic acid Formula: C19H26N2O8S MolecularWeight: 442.48334

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H26N2O8S/c1-4-28-19(30-5-2)13-7-6-8-20(13)18(24)12-9-15(27-3)16(29-11-17(22)23)10-14(12)21(25)26/h9-10,13,19H,4-8,11H2,1-3H3,(H,22,23)