chloranylsulfanium; 4-methylsulfanyl-2-(phenacylamino)butanoate

Systemtic Name: chloranylsulfanium; 4-methylsulfanyl-2-(phenacylamino)butanoate Openeye Name: chlorosulfonium; 4-methylsulfanyl-2-(phenacylamino)butanoate CAS Name: chlorosulfonium; 4-(methylthio)-2-(phenacylamino)butanoate IUPAC Name: chlorosulfanium; 4-methylsulfanyl-2-(phenacylamino)butanoate Traditional Name: chlorosulfonium; 4-(methylthio)-2-(phenacylamino)butyrate Formula: C13H18ClNO3S2 MolecularWeight: 335.86992

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17NO3S.ClHS/c1-18-8-7-11(13(16)17)14-9-12(15)10-5-3-2-4-6-10;1-2/h2-6,11,14H,7-9H2,1H3,(H,16,17);2H