(4-ethoxy-2-ethoxycarbonyl-4-oxidanylidene-butanethioyl)-methyl-propan-2-yl-sulfanyl-azanium

Systemtic Name: (4-ethoxy-2-ethoxycarbonyl-4-oxidanylidene-butanethioyl)-methyl-propan-2-yl-sulfanyl-azanium Openeye Name: (4-ethoxy-2-ethoxycarbonyl-4-oxo-butanethioyl)-isopropyl-methyl-sulfanyl-ammonium CAS Name: (4-ethoxy-2-ethoxycarbonyl-4-oxo-1-sulfanylidenebutyl)-mercapto-methyl-propan-2-ylammonium IUPAC Name: (4-ethoxy-2-ethoxycarbonyl-4-oxobutanethioyl)-methyl-propan-2-yl-sulfanylazanium Traditional Name: (2-carbethoxy-4-ethoxy-4-keto-butanethioyl)-isopropyl-mercapto-methyl-ammonium Formula: C13H24NO4S2+ MolecularWeight: 322.46396

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(C(=S)[N+](C)(C(C)C)S)C(=O)OCC

Isomeric SMILES

CCOC(=O)CC(C(=S)[N+](C)(C(C)C)S)C(=O)OCC

InChI

InChI=1S/C13H24NO4S2/c1-6-17-11(15)8-10(13(16)18-7-2)12(19)14(5,20)9(3)4/h9-10,20H,6-8H2,1-5H3/q+1