methyl (2S)-2-[[5-(dimethylsulfamoyl)-2-methyl-phenyl]carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: methyl (2S)-2-[[5-(dimethylsulfamoyl)-2-methyl-phenyl]carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: methyl (2S)-2-[[5-(dimethylsulfamoyl)-2-methyl-benzoyl]amino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[[5-(dimethylsulfamoyl)-2-methylphenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[5-(dimethylsulfamoyl)-2-methylbenzoyl]amino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[[5-(dimethylsulfamoyl)-2-methyl-benzoyl]amino]-4-(methylthio)butyric acid methyl ester Formula: C16H24N2O5S2 MolecularWeight: 388.50216

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N(C)C)C(=O)NC(CCSC)C(=O)OC

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N(C)C)C(=O)N[C@@H](CCSC)C(=O)OC

InChI

InChI=1S/C16H24N2O5S2/c1-11-6-7-12(25(21,22)18(2)3)10-13(11)15(19)17-14(8-9-24-5)16(20)23-4/h6-7,10,14H,8-9H2,1-5H3,(H,17,19)/t14-/m0/s1