chloranylsulfanium; 4-methylsulfanyl-2-[(2-oxidanylidene-2-pyridin-3-yl-ethyl)amino]butanoate

Systemtic Name: chloranylsulfanium; 4-methylsulfanyl-2-[(2-oxidanylidene-2-pyridin-3-yl-ethyl)amino]butanoate Openeye Name: chlorosulfonium; 4-methylsulfanyl-2-[[2-oxo-2-(3-pyridyl)ethyl]amino]butanoate CAS Name: chlorosulfonium; 4-(methylthio)-2-[[2-oxo-2-(3-pyridinyl)ethyl]amino]butanoate IUPAC Name: chlorosulfanium; 4-methylsulfanyl-2-[(2-oxo-2-pyridin-3-ylethyl)amino]butanoate Traditional Name: chlorosulfonium; 2-[[2-keto-2-(3-pyridyl)ethyl]amino]-4-(methylthio)butyrate Formula: C12H17ClN2O3S2 MolecularWeight: 336.85798

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)[O-])NCC(=O)C1=CN=CC=C1.[SH2+]Cl

Isomeric SMILES

CSCCC(C(=O)[O-])NCC(=O)C1=CN=CC=C1.[SH2+]Cl

InChI

InChI=1S/C12H16N2O3S.ClHS/c1-18-6-4-10(12(16)17)14-8-11(15)9-3-2-5-13-7-9;1-2/h2-3,5,7,10,14H,4,6,8H2,1H3,(H,16,17);2H