2-(diphenylcarbamoylsulfanyl)ethyl-dimethyl-azanium; (Z)-4-oxidanyl-4-oxidanylidene-but-2-enoate

Systemtic Name: 2-(diphenylcarbamoylsulfanyl)ethyl-dimethyl-azanium; (Z)-4-oxidanyl-4-oxidanylidene-but-2-enoate Openeye Name: 2-(diphenylcarbamoylsulfanyl)ethyl-dimethyl-ammonium; (Z)-4-hydroxy-4-oxo-but-2-enoate CAS Name: dimethyl-[2-[[oxo-(N-phenylanilino)methyl]thio]ethyl]ammonium; (Z)-4-hydroxy-4-oxo-2-butenoate IUPAC Name: 2-(diphenylcarbamoylsulfanyl)ethyl-dimethylazanium; (Z)-4-hydroxy-4-oxobut-2-enoate Traditional Name: 2-(diphenylcarbamoylthio)ethyl-dimethyl-ammonium; (Z)-4-hydroxy-4-keto-but-2-enoate Formula: C21H24N2O5S MolecularWeight: 416.49066

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCSC(=O)N(C1=CC=CC=C1)C2=CC=CC=C2.C(=CC(=O)[O-])C(=O)O

Isomeric SMILES

C[NH+](C)CCSC(=O)N(C1=CC=CC=C1)C2=CC=CC=C2.C(=C\C(=O)[O-])\C(=O)O

InChI

InChI=1S/C17H20N2OS.C4H4O4/c1-18(2)13-14-21-17(20)19(15-9-5-3-6-10-15)16-11-7-4-8-12-16;5-3(6)1-2-4(7)8/h3-12H,13-14H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1-