chloranylsulfanium; 2-[[2-(4-methylphenyl)-2-oxidanylidene-ethyl]amino]-4-methylsulfanyl-butanoate

Systemtic Name: chloranylsulfanium; 2-[[2-(4-methylphenyl)-2-oxidanylidene-ethyl]amino]-4-methylsulfanyl-butanoate Openeye Name: chlorosulfonium; 4-methylsulfanyl-2-[[2-oxo-2-(p-tolyl)ethyl]amino]butanoate CAS Name: chlorosulfonium; 2-[[2-(4-methylphenyl)-2-oxoethyl]amino]-4-(methylthio)butanoate IUPAC Name: chlorosulfanium; 2-[[2-(4-methylphenyl)-2-oxoethyl]amino]-4-methylsulfanylbutanoate Traditional Name: chlorosulfonium; 2-[[2-keto-2-(p-tolyl)ethyl]amino]-4-(methylthio)butyrate Formula: C14H20ClNO3S2 MolecularWeight: 349.8965

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)CNC(CCSC)C(=O)[O-].[SH2+]Cl

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)CNC(CCSC)C(=O)[O-].[SH2+]Cl

InChI

InChI=1S/C14H19NO3S.ClHS/c1-10-3-5-11(6-4-10)13(16)9-15-12(14(17)18)7-8-19-2;1-2/h3-6,12,15H,7-9H2,1-2H3,(H,17,18);2H