methyl (2S)-4-methylsulfanyl-2-[[2-phenyl-4-(1,3-thiazol-2-ylsulfinamoylsulfanyl)phenyl]carbonylamino]butanoate

Systemtic Name: methyl (2S)-4-methylsulfanyl-2-[[2-phenyl-4-(1,3-thiazol-2-ylsulfinamoylsulfanyl)phenyl]carbonylamino]butanoate Openeye Name: methyl (2S)-4-methylsulfanyl-2-[(2-phenyl-4-thiazol-2-ylsulfinamoylsulfanyl-benzoyl)amino]butanoate CAS Name: (2S)-4-(methylthio)-2-[[oxo-[2-phenyl-4-(2-thiazolylsulfinamoylthio)phenyl]methyl]amino]butanoic acid methyl ester IUPAC Name: methyl (2S)-4-methylsulfanyl-2-[[2-phenyl-4-(1,3-thiazol-2-ylsulfinamoylsulfanyl)benzoyl]amino]butanoate Traditional Name: (2S)-4-(methylthio)-2-[[2-phenyl-4-(thiazol-2-ylsulfinamoylthio)benzoyl]amino]butyric acid methyl ester Formula: C22H23N3O4S4 MolecularWeight: 521.69572

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCSC)NC(=O)C1=C(C=C(C=C1)SS(=O)NC2=NC=CS2)C3=CC=CC=C3

Isomeric SMILES

COC(=O)[C@H](CCSC)NC(=O)C1=C(C=C(C=C1)SS(=O)NC2=NC=CS2)C3=CC=CC=C3

InChI

InChI=1S/C22H23N3O4S4/c1-29-21(27)19(10-12-30-2)24-20(26)17-9-8-16(14-18(17)15-6-4-3-5-7-15)32-33(28)25-22-23-11-13-31-22/h3-9,11,13-14,19H,10,12H2,1-2H3,(H,23,25)(H,24,26)/t19-,33?/m0/s1