(4-ethoxy-2-ethoxycarbonyl-4-oxidanylidene-butanethioyl)-diphenyl-sulfanyl-azanium

Systemtic Name: (4-ethoxy-2-ethoxycarbonyl-4-oxidanylidene-butanethioyl)-diphenyl-sulfanyl-azanium Openeye Name: (4-ethoxy-2-ethoxycarbonyl-4-oxo-butanethioyl)-diphenyl-sulfanyl-ammonium CAS Name: (4-ethoxy-2-ethoxycarbonyl-4-oxo-1-sulfanylidenebutyl)-mercapto-diphenylammonium IUPAC Name: (4-ethoxy-2-ethoxycarbonyl-4-oxobutanethioyl)-diphenyl-sulfanylazanium Traditional Name: (2-carbethoxy-4-ethoxy-4-keto-butanethioyl)-mercapto-diphenyl-ammonium Formula: C21H24NO4S2+ MolecularWeight: 418.54956

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(C(=S)[N+](C1=CC=CC=C1)(C2=CC=CC=C2)S)C(=O)OCC

Isomeric SMILES

CCOC(=O)CC(C(=S)[N+](C1=CC=CC=C1)(C2=CC=CC=C2)S)C(=O)OCC

InChI

InChI=1S/C21H24NO4S2/c1-3-25-19(23)15-18(21(24)26-4-2)20(27)22(28,16-11-7-5-8-12-16)17-13-9-6-10-14-17/h5-14,18,28H,3-4,15H2,1-2H3/q+1