methyl 3-[2-hexadecoxycarbothioylsulfanylethylsulfanylcarbothioyl-(3-methoxy-3-oxidanylidene-propyl)amino]propanoate

Systemtic Name: methyl 3-[2-hexadecoxycarbothioylsulfanylethylsulfanylcarbothioyl-(3-methoxy-3-oxidanylidene-propyl)amino]propanoate Openeye Name: methyl 3-[2-hexadecoxycarbothioylsulfanylethylsulfanylcarbothioyl-(3-methoxy-3-oxo-propyl)amino]propanoate CAS Name: 3-[[[2-[[hexadecoxy(sulfanylidene)methyl]thio]ethylthio]-sulfanylidenemethyl]-(3-methoxy-3-oxopropyl)amino]propanoic acid methyl ester IUPAC Name: methyl 3-[2-hexadecoxycarbothioylsulfanylethylsulfanylcarbothioyl-(3-methoxy-3-oxopropyl)amino]propanoate Traditional Name: 3-[[2-(cetyloxycarbothioylthio)ethylthio]carbothioyl-(3-keto-3-methoxy-propyl)amino]propionic acid methyl ester Formula: C28H51NO5S4 MolecularWeight: 609.96824

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC(=S)SCCSC(=S)N(CCC(=O)OC)CCC(=O)OC

Isomeric SMILES

CCCCCCCCCCCCCCCCOC(=S)SCCSC(=S)N(CCC(=O)OC)CCC(=O)OC

InChI

InChI=1S/C28H51NO5S4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-34-28(36)38-24-23-37-27(35)29(20-18-25(30)32-2)21-19-26(31)33-3/h4-24H2,1-3H3