methyl 2-[C-(2-methoxy-2-oxidanylidene-ethyl)sulfanyl-N-(4-methylphenyl)sulfonyl-carbonimidoyl]sulfanylethanoate

Systemtic Name: methyl 2-[C-(2-methoxy-2-oxidanylidene-ethyl)sulfanyl-N-(4-methylphenyl)sulfonyl-carbonimidoyl]sulfanylethanoate Openeye Name: methyl 2-[C-(2-methoxy-2-oxo-ethyl)sulfanyl-N-(p-tolylsulfonyl)carbonimidoyl]sulfanylacetate CAS Name: 2-[[[(2-methoxy-2-oxoethyl)thio]-(4-methylphenyl)sulfonyliminomethyl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[C-(2-methoxy-2-oxoethyl)sulfanyl-N-(4-methylphenyl)sulfonylcarbonimidoyl]sulfanylacetate Traditional Name: 2-[[C-[(2-keto-2-methoxy-ethyl)thio]-N-tosyl-carbonimidoyl]thio]acetic acid methyl ester Formula: C14H17NO6S3 MolecularWeight: 391.48288

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N=C(SCC(=O)OC)SCC(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N=C(SCC(=O)OC)SCC(=O)OC

InChI

InChI=1S/C14H17NO6S3/c1-10-4-6-11(7-5-10)24(18,19)15-14(22-8-12(16)20-2)23-9-13(17)21-3/h4-7H,8-9H2,1-3H3