S-[[5-(methylsulfanylmethyl)-1,4-dithian-2-yl]methyl] 4-ethanoylbenzenecarbothioate

Systemtic Name: S-[[5-(methylsulfanylmethyl)-1,4-dithian-2-yl]methyl] 4-ethanoylbenzenecarbothioate Openeye Name: S-[[5-(methylsulfanylmethyl)-1,4-dithian-2-yl]methyl] 4-acetylbenzenecarbothioate CAS Name: 4-acetylbenzenecarbothioic acid S-[[5-[(methylthio)methyl]-1,4-dithian-2-yl]methyl] ester IUPAC Name: S-[[5-(methylsulfanylmethyl)-1,4-dithian-2-yl]methyl] 4-acetylbenzenecarbothioate Traditional Name: 4-acetylthiobenzoic acid S-[[5-[(methylthio)methyl]-1,4-dithian-2-yl]methyl] ester Formula: C16H20O2S4 MolecularWeight: 372.5888

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)C(=O)SCC2CSC(CS2)CSC

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)C(=O)SCC2CSC(CS2)CSC

InChI

InChI=1S/C16H20O2S4/c1-11(17)12-3-5-13(6-4-12)16(18)22-10-15-9-20-14(7-19-2)8-21-15/h3-6,14-15H,7-10H2,1-2H3