chloranylsulfanium; 4-methylsulfanyl-2-[[2-oxidanylidene-2-(3,4,5-trimethoxyphenyl)ethyl]amino]butanoate

Systemtic Name: chloranylsulfanium; 4-methylsulfanyl-2-[[2-oxidanylidene-2-(3,4,5-trimethoxyphenyl)ethyl]amino]butanoate Openeye Name: chlorosulfonium; 4-methylsulfanyl-2-[[2-oxo-2-(3,4,5-trimethoxyphenyl)ethyl]amino]butanoate CAS Name: chlorosulfonium; 4-(methylthio)-2-[[2-oxo-2-(3,4,5-trimethoxyphenyl)ethyl]amino]butanoate IUPAC Name: chlorosulfanium; 4-methylsulfanyl-2-[[2-oxo-2-(3,4,5-trimethoxyphenyl)ethyl]amino]butanoate Traditional Name: chlorosulfonium; 2-[[2-keto-2-(3,4,5-trimethoxyphenyl)ethyl]amino]-4-(methylthio)butyrate Formula: C16H24ClNO6S2 MolecularWeight: 425.94786

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)CNC(CCSC)C(=O)[O-].[SH2+]Cl

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)CNC(CCSC)C(=O)[O-].[SH2+]Cl

InChI

InChI=1S/C16H23NO6S.ClHS/c1-21-13-7-10(8-14(22-2)15(13)23-3)12(18)9-17-11(16(19)20)5-6-24-4;1-2/h7-8,11,17H,5-6,9H2,1-4H3,(H,19,20);2H