methyl 2-[4-cyano-3,5-bis[(2-methoxy-2-oxidanylidene-ethyl)sulfanyl]phenyl]sulfanylethanoate

Systemtic Name: methyl 2-[4-cyano-3,5-bis[(2-methoxy-2-oxidanylidene-ethyl)sulfanyl]phenyl]sulfanylethanoate Openeye Name: methyl 2-[4-cyano-3,5-bis[(2-methoxy-2-oxo-ethyl)sulfanyl]phenyl]sulfanylacetate CAS Name: 2-[[4-cyano-3,5-bis[(2-methoxy-2-oxoethyl)thio]phenyl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[4-cyano-3,5-bis[(2-methoxy-2-oxoethyl)sulfanyl]phenyl]sulfanylacetate Traditional Name: 2-[[4-cyano-3,5-bis[(2-keto-2-methoxy-ethyl)thio]phenyl]thio]acetic acid methyl ester Formula: C16H17NO6S3 MolecularWeight: 415.50428

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CSC1=CC(=C(C(=C1)SCC(=O)OC)C#N)SCC(=O)OC

Isomeric SMILES

COC(=O)CSC1=CC(=C(C(=C1)SCC(=O)OC)C#N)SCC(=O)OC

InChI

InChI=1S/C16H17NO6S3/c1-21-14(18)7-24-10-4-12(25-8-15(19)22-2)11(6-17)13(5-10)26-9-16(20)23-3/h4-5H,7-9H2,1-3H3