sulfanium 4-methylsulfanyl-2-(phenacylamino)butanoate

Systemtic Name: sulfanium 4-methylsulfanyl-2-(phenacylamino)butanoate Openeye Name: sulfonium 4-methylsulfanyl-2-(phenacylamino)butanoate CAS Name: sulfonium 4-(methylthio)-2-(phenacylamino)butanoate IUPAC Name: sulfanium 4-methylsulfanyl-2-(phenacylamino)butanoate Traditional Name: sulfonium 4-(methylthio)-2-(phenacylamino)butyrate Formula: C13H19NO3S2 MolecularWeight: 301.42486

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)[O-])NCC(=O)C1=CC=CC=C1.[SH3+]

Isomeric SMILES

CSCCC(C(=O)[O-])NCC(=O)C1=CC=CC=C1.[SH3+]

InChI

InChI=1S/C13H17NO3S.H2S/c1-18-8-7-11(13(16)17)14-9-12(15)10-5-3-2-4-6-10;/h2-6,11,14H,7-9H2,1H3,(H,16,17);1H2