ethyl 2-[N-(4-methylphenyl)sulfonyl-C-methylsulfanyl-carbonimidoyl]sulfanylethanoate

Systemtic Name: ethyl 2-[N-(4-methylphenyl)sulfonyl-C-methylsulfanyl-carbonimidoyl]sulfanylethanoate Openeye Name: ethyl 2-[C-methylsulfanyl-N-(p-tolylsulfonyl)carbonimidoyl]sulfanylacetate CAS Name: 2-[[(4-methylphenyl)sulfonylimino-(methylthio)methyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[N-(4-methylphenyl)sulfonyl-C-methylsulfanylcarbonimidoyl]sulfanylacetate Traditional Name: 2-[[C-(methylthio)-N-tosyl-carbonimidoyl]thio]acetic acid ethyl ester Formula: C13H17NO4S3 MolecularWeight: 347.47338

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC(=NS(=O)(=O)C1=CC=C(C=C1)C)SC

Isomeric SMILES

CCOC(=O)CSC(=NS(=O)(=O)C1=CC=C(C=C1)C)SC

InChI

InChI=1S/C13H17NO4S3/c1-4-18-12(15)9-20-13(19-3)14-21(16,17)11-7-5-10(2)6-8-11/h5-8H,4,9H2,1-3H3