2-(2-chloroethyloxy)ethyl 2-[[2-(ethanoylsulfanylmethyl)-3-phenyl-propanoyl]amino]-3-prop-2-enylsulfanyl-propanoate

Systemtic Name: 2-(2-chloroethyloxy)ethyl 2-[[2-(ethanoylsulfanylmethyl)-3-phenyl-propanoyl]amino]-3-prop-2-enylsulfanyl-propanoate Openeye Name: 2-(2-chloroethoxy)ethyl 2-[[2-(acetylsulfanylmethyl)-3-phenyl-propanoyl]amino]-3-allylsulfanyl-propanoate CAS Name: 2-[[2-[(acetylthio)methyl]-1-oxo-3-phenylpropyl]amino]-3-(prop-2-enylthio)propanoic acid 2-(2-chloroethoxy)ethyl ester IUPAC Name: 2-(2-chloroethoxy)ethyl 2-[[2-(acetylsulfanylmethyl)-3-phenylpropanoyl]amino]-3-prop-2-enylsulfanylpropanoate Traditional Name: 2-[[2-[(acetylthio)methyl]-3-phenyl-propanoyl]amino]-3-(allylthio)propionic acid 2-(2-chloroethoxy)ethyl ester Formula: C22H30ClNO5S2 MolecularWeight: 488.0603

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC(CC1=CC=CC=C1)C(=O)NC(CSCC=C)C(=O)OCCOCCCl

Isomeric SMILES

CC(=O)SCC(CC1=CC=CC=C1)C(=O)NC(CSCC=C)C(=O)OCCOCCCl

InChI

InChI=1S/C22H30ClNO5S2/c1-3-13-30-16-20(22(27)29-12-11-28-10-9-23)24-21(26)19(15-31-17(2)25)14-18-7-5-4-6-8-18/h3-8,19-20H,1,9-16H2,2H3,(H,24,26)