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

Systemtic Name: methyl 3-[hexadecylsulfanylcarbothioyl-(3-methoxy-3-oxidanylidene-propyl)amino]propanoate Openeye Name: methyl 3-[hexadecylsulfanylcarbothioyl-(3-methoxy-3-oxo-propyl)amino]propanoate CAS Name: 3-[[(hexadecylthio)-sulfanylidenemethyl]-(3-methoxy-3-oxopropyl)amino]propanoic acid methyl ester IUPAC Name: methyl 3-[hexadecylsulfanylcarbothioyl-(3-methoxy-3-oxopropyl)amino]propanoate Traditional Name: 3-[(cetylthio)carbothioyl-(3-keto-3-methoxy-propyl)amino]propionic acid methyl ester Formula: C25H47NO4S2 MolecularWeight: 489.77498

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCSC(=S)N(CCC(=O)OC)CCC(=O)OC

Isomeric SMILES

CCCCCCCCCCCCCCCCSC(=S)N(CCC(=O)OC)CCC(=O)OC

InChI

InChI=1S/C25H47NO4S2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-32-25(31)26(20-18-23(27)29-2)21-19-24(28)30-3/h4-22H2,1-3H3