S-[2-(ethanoylsulfanylmethyl)-2-[(4-methylphenyl)sulfonylamino]butyl] ethanethioate

Systemtic Name: S-[2-(ethanoylsulfanylmethyl)-2-[(4-methylphenyl)sulfonylamino]butyl] ethanethioate Openeye Name: S-[2-(acetylsulfanylmethyl)-2-(p-tolylsulfonylamino)butyl] ethanethioate CAS Name: ethanethioic acid S-[2-[(acetylthio)methyl]-2-[(4-methylphenyl)sulfonylamino]butyl] ester IUPAC Name: S-[2-(acetylsulfanylmethyl)-2-[(4-methylphenyl)sulfonylamino]butyl] ethanethioate Traditional Name: ethanethioic acid S-[2-[(acetylthio)methyl]-2-(tosylamino)butyl] ester Formula: C16H23NO4S3 MolecularWeight: 389.55312

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CSC(=O)C)(CSC(=O)C)NS(=O)(=O)C1=CC=C(C=C1)C

Isomeric SMILES

CCC(CSC(=O)C)(CSC(=O)C)NS(=O)(=O)C1=CC=C(C=C1)C

InChI

InChI=1S/C16H23NO4S3/c1-5-16(10-22-13(3)18,11-23-14(4)19)17-24(20,21)15-8-6-12(2)7-9-15/h6-9,17H,5,10-11H2,1-4H3