[2-[2-(2-chloroethyloxy)ethylamino]-3-prop-2-enylsulfanyl-propanoyl] 3-phenyl-2-(phenylcarbonylsulfanyl)propanoate

Systemtic Name: [2-[2-(2-chloroethyloxy)ethylamino]-3-prop-2-enylsulfanyl-propanoyl] 3-phenyl-2-(phenylcarbonylsulfanyl)propanoate Openeye Name: [3-allylsulfanyl-2-[2-(2-chloroethoxy)ethylamino]propanoyl] 2-benzoylsulfanyl-3-phenyl-propanoate CAS Name: 2-(benzoylthio)-3-phenylpropanoic acid [2-[2-(2-chloroethoxy)ethylamino]-1-oxo-3-(prop-2-enylthio)propyl] ester IUPAC Name: [2-[2-(2-chloroethoxy)ethylamino]-3-prop-2-enylsulfanylpropanoyl] 2-benzoylsulfanyl-3-phenylpropanoate Traditional Name: 2-(benzoylthio)-3-phenyl-propionic acid [3-(allylthio)-2-[2-(2-chloroethoxy)ethylamino]propanoyl] ester Formula: C26H30ClNO5S2 MolecularWeight: 536.1031

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Descriptors Computed from Structure

Canonical SMILES:

C=CCSCC(C(=O)OC(=O)C(CC1=CC=CC=C1)SC(=O)C2=CC=CC=C2)NCCOCCCl

Isomeric SMILES

C=CCSCC(C(=O)OC(=O)C(CC1=CC=CC=C1)SC(=O)C2=CC=CC=C2)NCCOCCCl

InChI

InChI=1S/C26H30ClNO5S2/c1-2-17-34-19-22(28-14-16-32-15-13-27)24(29)33-25(30)23(18-20-9-5-3-6-10-20)35-26(31)21-11-7-4-8-12-21/h2-12,22-23,28H,1,13-19H2