methyl 2-cyano-2,2-bis(phenylmethylsulfanyl)ethanoate; methyl 2-cyano-2,2-bis(propan-2-ylsulfanyl)ethanoate

Systemtic Name: methyl 2-cyano-2,2-bis(phenylmethylsulfanyl)ethanoate; methyl 2-cyano-2,2-bis(propan-2-ylsulfanyl)ethanoate Openeye Name: methyl 2,2-bis(benzylsulfanyl)-2-cyano-acetate; methyl 2-cyano-2,2-bis(isopropylsulfanyl)acetate CAS Name: 2-cyano-2,2-bis(phenylmethylthio)acetic acid methyl ester; 2-cyano-2,2-bis(propan-2-ylthio)acetic acid methyl ester IUPAC Name: methyl 2,2-bis(benzylsulfanyl)-2-cyanoacetate; methyl 2-cyano-2,2-bis(propan-2-ylsulfanyl)acetate Traditional Name: 2,2-bis(benzylthio)-2-cyano-acetic acid methyl ester; 2-cyano-2,2-bis(isopropylthio)acetic acid methyl ester Formula: C28H34N2O4S4 MolecularWeight: 590.84056

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SC(C#N)(C(=O)OC)SC(C)C.COC(=O)C(C#N)(SCC1=CC=CC=C1)SCC2=CC=CC=C2

Isomeric SMILES

CC(C)SC(C#N)(C(=O)OC)SC(C)C.COC(=O)C(C#N)(SCC1=CC=CC=C1)SCC2=CC=CC=C2

InChI

InChI=1S/C18H17NO2S2.C10H17NO2S2/c1-21-17(20)18(14-19,22-12-15-8-4-2-5-9-15)23-13-16-10-6-3-7-11-16;1-7(2)14-10(6-11,9(12)13-5)15-8(3)4/h2-11H,12-13H2,1H3;7-8H,1-5H3