methyl (2S)-2-[[5-methyl-2-(phenylsulfonylamino)-1,3-thiazol-4-yl]carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: methyl (2S)-2-[[5-methyl-2-(phenylsulfonylamino)-1,3-thiazol-4-yl]carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: methyl (2S)-2-[[2-(benzenesulfonamido)-5-methyl-thiazole-4-carbonyl]amino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[[2-(benzenesulfonamido)-5-methyl-4-thiazolyl]-oxomethyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[2-(benzenesulfonamido)-5-methyl-1,3-thiazole-4-carbonyl]amino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[[2-(benzenesulfonamido)-5-methyl-thiazole-4-carbonyl]amino]-4-(methylthio)butyric acid methyl ester Formula: C17H21N3O5S3 MolecularWeight: 443.56074

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(S1)NS(=O)(=O)C2=CC=CC=C2)C(=O)NC(CCSC)C(=O)OC

Isomeric SMILES

CC1=C(N=C(S1)NS(=O)(=O)C2=CC=CC=C2)C(=O)N[C@@H](CCSC)C(=O)OC

InChI

InChI=1S/C17H21N3O5S3/c1-11-14(15(21)18-13(9-10-26-3)16(22)25-2)19-17(27-11)20-28(23,24)12-7-5-4-6-8-12/h4-8,13H,9-10H2,1-3H3,(H,18,21)(H,19,20)/t13-/m0/s1