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

Systemtic Name: (4-ethoxy-2-ethoxycarbonyl-4-oxidanylidene-butanethioyl)-phenyl-propan-2-yl-sulfanyl-azanium Openeye Name: (4-ethoxy-2-ethoxycarbonyl-4-oxo-butanethioyl)-isopropyl-phenyl-sulfanyl-ammonium CAS Name: (4-ethoxy-2-ethoxycarbonyl-4-oxo-1-sulfanylidenebutyl)-mercapto-phenyl-propan-2-ylammonium IUPAC Name: (4-ethoxy-2-ethoxycarbonyl-4-oxobutanethioyl)-phenyl-propan-2-yl-sulfanylazanium Traditional Name: (2-carbethoxy-4-ethoxy-4-keto-butanethioyl)-isopropyl-mercapto-phenyl-ammonium Formula: C18H26NO4S2+ MolecularWeight: 384.53334

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26NO4S2/c1-5-22-16(20)12-15(18(21)23-6-2)17(24)19(25,13(3)4)14-10-8-7-9-11-14/h7-11,13,15,25H,5-6,12H2,1-4H3/q+1