(4-methoxy-2-methoxycarbonyl-4-oxidanylidene-butanethioyl)-methyl-phenyl-sulfanyl-azanium

Systemtic Name: (4-methoxy-2-methoxycarbonyl-4-oxidanylidene-butanethioyl)-methyl-phenyl-sulfanyl-azanium Openeye Name: (4-methoxy-2-methoxycarbonyl-4-oxo-butanethioyl)-methyl-phenyl-sulfanyl-ammonium CAS Name: mercapto-(4-methoxy-2-methoxycarbonyl-4-oxo-1-sulfanylidenebutyl)-methyl-phenylammonium IUPAC Name: (4-methoxy-2-methoxycarbonyl-4-oxobutanethioyl)-methyl-phenyl-sulfanylazanium Traditional Name: (2-carbomethoxy-4-keto-4-methoxy-butanethioyl)-mercapto-methyl-phenyl-ammonium Formula: C14H18NO4S2+ MolecularWeight: 328.42702

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18NO4S2/c1-15(21,10-7-5-4-6-8-10)13(20)11(14(17)19-3)9-12(16)18-2/h4-8,11,21H,9H2,1-3H3/q+1