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

Systemtic Name: methyl 3-[(3-methoxy-3-oxidanylidene-propyl)-octadecylsulfanylcarbothioyl-amino]propanoate Openeye Name: methyl 3-[(3-methoxy-3-oxo-propyl)-octadecylsulfanylcarbothioyl-amino]propanoate CAS Name: 3-[(3-methoxy-3-oxopropyl)-[(octadecylthio)-sulfanylidenemethyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-[(3-methoxy-3-oxopropyl)-octadecylsulfanylcarbothioylamino]propanoate Traditional Name: 3-[(3-keto-3-methoxy-propyl)-(stearylthio)carbothioyl-amino]propionic acid methyl ester Formula: C27H51NO4S2 MolecularWeight: 517.82814

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H51NO4S2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-34-27(33)28(22-20-25(29)31-2)23-21-26(30)32-3/h4-24H2,1-3H3