S-[[3-ethanoyl-5-(ethanoylsulfanylmethyl)-1-(4-methylphenyl)sulfonyl-2-oxidanylidene-imidazol-4-yl]methyl] ethanethioate

Systemtic Name: S-[[3-ethanoyl-5-(ethanoylsulfanylmethyl)-1-(4-methylphenyl)sulfonyl-2-oxidanylidene-imidazol-4-yl]methyl] ethanethioate Openeye Name: S-[[3-acetyl-5-(acetylsulfanylmethyl)-2-oxo-1-(p-tolylsulfonyl)imidazol-4-yl]methyl] ethanethioate CAS Name: ethanethioic acid S-[[3-acetyl-5-[(acetylthio)methyl]-1-(4-methylphenyl)sulfonyl-2-oxo-4-imidazolyl]methyl] ester IUPAC Name: S-[[3-acetyl-5-(acetylsulfanylmethyl)-1-(4-methylphenyl)sulfonyl-2-oxoimidazol-4-yl]methyl] ethanethioate Traditional Name: ethanethioic acid S-[[3-acetyl-5-[(acetylthio)methyl]-2-keto-1-tosyl-4-imidazolin-4-yl]methyl] ester Formula: C18H20N2O6S3 MolecularWeight: 456.5562

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C(=C(N(C2=O)C(=O)C)CSC(=O)C)CSC(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C(=C(N(C2=O)C(=O)C)CSC(=O)C)CSC(=O)C

InChI

InChI=1S/C18H20N2O6S3/c1-11-5-7-15(8-6-11)29(25,26)20-17(10-28-14(4)23)16(9-27-13(3)22)19(12(2)21)18(20)24/h5-8H,9-10H2,1-4H3