methyl 3-[[2-(decylamino)-2-oxidanylidene-ethyl]sulfanylcarbothioyl-(3-methoxy-3-oxidanylidene-propyl)amino]propanoate

Systemtic Name: methyl 3-[[2-(decylamino)-2-oxidanylidene-ethyl]sulfanylcarbothioyl-(3-methoxy-3-oxidanylidene-propyl)amino]propanoate Openeye Name: methyl 3-[[2-(decylamino)-2-oxo-ethyl]sulfanylcarbothioyl-(3-methoxy-3-oxo-propyl)amino]propanoate CAS Name: 3-[[[[2-(decylamino)-2-oxoethyl]thio]-sulfanylidenemethyl]-(3-methoxy-3-oxopropyl)amino]propanoic acid methyl ester IUPAC Name: methyl 3-[[2-(decylamino)-2-oxoethyl]sulfanylcarbothioyl-(3-methoxy-3-oxopropyl)amino]propanoate Traditional Name: 3-[[[2-(decylamino)-2-keto-ethyl]thio]carbothioyl-(3-keto-3-methoxy-propyl)amino]propionic acid methyl ester Formula: C21H38N2O5S2 MolecularWeight: 462.66682

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCNC(=O)CSC(=S)N(CCC(=O)OC)CCC(=O)OC

Isomeric SMILES

CCCCCCCCCCNC(=O)CSC(=S)N(CCC(=O)OC)CCC(=O)OC

InChI

InChI=1S/C21H38N2O5S2/c1-4-5-6-7-8-9-10-11-14-22-18(24)17-30-21(29)23(15-12-19(25)27-2)16-13-20(26)28-3/h4-17H2,1-3H3,(H,22,24)