methyl 3-[[3-(4-methylphenyl)sulfonylphenyl]carbamothioylsulfanyl]propanoate

Systemtic Name: methyl 3-[[3-(4-methylphenyl)sulfonylphenyl]carbamothioylsulfanyl]propanoate Openeye Name: methyl 3-[[3-(p-tolylsulfonyl)phenyl]carbamothioylsulfanyl]propanoate CAS Name: 3-[[[3-(4-methylphenyl)sulfonylanilino]-sulfanylidenemethyl]thio]propanoic acid methyl ester IUPAC Name: methyl 3-[[3-(4-methylphenyl)sulfonylphenyl]carbamothioylsulfanyl]propanoate Traditional Name: 3-[(3-tosylphenyl)thiocarbamoylthio]propionic acid methyl ester Formula: C18H19NO4S3 MolecularWeight: 409.54276

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C2=CC=CC(=C2)NC(=S)SCCC(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C2=CC=CC(=C2)NC(=S)SCCC(=O)OC

InChI

InChI=1S/C18H19NO4S3/c1-13-6-8-15(9-7-13)26(21,22)16-5-3-4-14(12-16)19-18(24)25-11-10-17(20)23-2/h3-9,12H,10-11H2,1-2H3,(H,19,24)