sulfanium 2-[[3,4-bis(chloranyl)-2-oxidanylidene-4-phenyl-butyl]amino]-4-methylsulfanyl-butanoate

Systemtic Name: sulfanium 2-[[3,4-bis(chloranyl)-2-oxidanylidene-4-phenyl-butyl]amino]-4-methylsulfanyl-butanoate Openeye Name: sulfonium 2-[(3,4-dichloro-2-oxo-4-phenyl-butyl)amino]-4-methylsulfanyl-butanoate CAS Name: sulfonium 2-[(3,4-dichloro-2-oxo-4-phenylbutyl)amino]-4-(methylthio)butanoate IUPAC Name: sulfanium 2-[(3,4-dichloro-2-oxo-4-phenylbutyl)amino]-4-methylsulfanylbutanoate Traditional Name: sulfonium 2-[(3,4-dichloro-2-keto-4-phenyl-butyl)amino]-4-(methylthio)butyrate Formula: C15H21Cl2NO3S2 MolecularWeight: 398.36814

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H19Cl2NO3S.H2S/c1-22-8-7-11(15(20)21)18-9-12(19)14(17)13(16)10-5-3-2-4-6-10;/h2-6,11,13-14,18H,7-9H2,1H3,(H,20,21);1H2