S-[[3-(ethanoylsulfanylmethyl)-5-(4-thiophen-2-ylphenyl)phenyl]methyl] ethanethioate

Systemtic Name: S-[[3-(ethanoylsulfanylmethyl)-5-(4-thiophen-2-ylphenyl)phenyl]methyl] ethanethioate Openeye Name: S-[[3-(acetylsulfanylmethyl)-5-[4-(2-thienyl)phenyl]phenyl]methyl] ethanethioate CAS Name: ethanethioic acid S-[[3-[(acetylthio)methyl]-5-(4-thiophen-2-ylphenyl)phenyl]methyl] ester IUPAC Name: S-[[3-(acetylsulfanylmethyl)-5-(4-thiophen-2-ylphenyl)phenyl]methyl] ethanethioate Traditional Name: ethanethioic acid S-[3-[(acetylthio)methyl]-5-[4-(2-thienyl)phenyl]benzyl] ester Formula: C22H20O2S3 MolecularWeight: 412.588

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC1=CC(=CC(=C1)C2=CC=C(C=C2)C3=CC=CS3)CSC(=O)C

Isomeric SMILES

CC(=O)SCC1=CC(=CC(=C1)C2=CC=C(C=C2)C3=CC=CS3)CSC(=O)C

InChI

InChI=1S/C22H20O2S3/c1-15(23)26-13-17-10-18(14-27-16(2)24)12-21(11-17)19-5-7-20(8-6-19)22-4-3-9-25-22/h3-12H,13-14H2,1-2H3