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

Systemtic Name: ethyl 2-[C-(2-ethoxy-2-oxidanylidene-ethyl)sulfanyl-N-(4-methylphenyl)sulfonyl-carbonimidoyl]sulfanylethanoate Openeye Name: ethyl 2-[C-(2-ethoxy-2-oxo-ethyl)sulfanyl-N-(p-tolylsulfonyl)carbonimidoyl]sulfanylacetate CAS Name: 2-[[[(2-ethoxy-2-oxoethyl)thio]-(4-methylphenyl)sulfonyliminomethyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[C-(2-ethoxy-2-oxoethyl)sulfanyl-N-(4-methylphenyl)sulfonylcarbonimidoyl]sulfanylacetate Traditional Name: 2-[[C-[(2-ethoxy-2-keto-ethyl)thio]-N-tosyl-carbonimidoyl]thio]acetic acid ethyl ester Formula: C16H21NO6S3 MolecularWeight: 419.53604

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC(=NS(=O)(=O)C1=CC=C(C=C1)C)SCC(=O)OCC

Isomeric SMILES

CCOC(=O)CSC(=NS(=O)(=O)C1=CC=C(C=C1)C)SCC(=O)OCC

InChI

InChI=1S/C16H21NO6S3/c1-4-22-14(18)10-24-16(25-11-15(19)23-5-2)17-26(20,21)13-8-6-12(3)7-9-13/h6-9H,4-5,10-11H2,1-3H3