[3-[[3-[2-(2-acetamidoethanoyloxy)-3-methoxy-propoxy]phenyl]amino]-3-oxidanylidene-propyl]-butyl-methyl-sulfanium

Systemtic Name: [3-[[3-[2-(2-acetamidoethanoyloxy)-3-methoxy-propoxy]phenyl]amino]-3-oxidanylidene-propyl]-butyl-methyl-sulfanium Openeye Name: [3-[3-[2-(2-acetamidoacetyl)oxy-3-methoxy-propoxy]anilino]-3-oxo-propyl]-butyl-methyl-sulfonium CAS Name: [3-[3-[2-(2-acetamido-1-oxoethoxy)-3-methoxypropoxy]anilino]-3-oxopropyl]-butyl-methylsulfonium IUPAC Name: [3-[3-[2-(2-acetamidoacetyl)oxy-3-methoxypropoxy]anilino]-3-oxopropyl]-butyl-methylsulfanium Traditional Name: [3-[3-[2-(2-acetamidoacetyl)oxy-3-methoxy-propoxy]anilino]-3-keto-propyl]-butyl-methyl-sulfonium Formula: C22H35N2O6S+ MolecularWeight: 455.5881

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[S+](C)CCC(=O)NC1=CC(=CC=C1)OCC(COC)OC(=O)CNC(=O)C

Isomeric SMILES

CCCC[S+](C)CCC(=O)NC1=CC(=CC=C1)OCC(COC)OC(=O)CNC(=O)C

InChI

InChI=1S/C22H34N2O6S/c1-5-6-11-31(4)12-10-21(26)24-18-8-7-9-19(13-18)29-16-20(15-28-3)30-22(27)14-23-17(2)25/h7-9,13,20H,5-6,10-12,14-16H2,1-4H3,(H-,23,24,25,26)/p+1