2-[3-(2-acetamidoethylsulfanyl)butanoylsulfanyl]ethyl (E)-3-(4-methoxyphenyl)prop-2-enoate

Systemtic Name: 2-[3-(2-acetamidoethylsulfanyl)butanoylsulfanyl]ethyl (E)-3-(4-methoxyphenyl)prop-2-enoate Openeye Name: 2-[3-(2-acetamidoethylsulfanyl)butanoylsulfanyl]ethyl (E)-3-(4-methoxyphenyl)prop-2-enoate CAS Name: (E)-3-(4-methoxyphenyl)-2-propenoic acid 2-[[3-(2-acetamidoethylthio)-1-oxobutyl]thio]ethyl ester IUPAC Name: 2-[3-(2-acetamidoethylsulfanyl)butanoylsulfanyl]ethyl (E)-3-(4-methoxyphenyl)prop-2-enoate Traditional Name: (E)-3-(4-methoxyphenyl)acrylic acid 2-[3-(2-acetamidoethylthio)butanoylthio]ethyl ester Formula: C20H27NO5S2 MolecularWeight: 425.56208

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)SCCOC(=O)C=CC1=CC=C(C=C1)OC)SCCNC(=O)C

Isomeric SMILES

CC(CC(=O)SCCOC(=O)/C=C/C1=CC=C(C=C1)OC)SCCNC(=O)C

InChI

InChI=1S/C20H27NO5S2/c1-15(27-12-10-21-16(2)22)14-20(24)28-13-11-26-19(23)9-6-17-4-7-18(25-3)8-5-17/h4-9,15H,10-14H2,1-3H3,(H,21,22)/b9-6+