(2S)-1-(3-ethanoylsulfanyl-2-methyl-propanoyl)-4-[(4-methylsulfanylphenyl)methyl]-2,5-dihydropyrrole-2-carboxylic acid

Systemtic Name: (2S)-1-(3-ethanoylsulfanyl-2-methyl-propanoyl)-4-[(4-methylsulfanylphenyl)methyl]-2,5-dihydropyrrole-2-carboxylic acid Openeye Name: (2S)-1-(3-acetylsulfanyl-2-methyl-propanoyl)-4-[(4-methylsulfanylphenyl)methyl]-2,5-dihydropyrrole-2-carboxylic acid CAS Name: (2S)-1-[3-(acetylthio)-2-methyl-1-oxopropyl]-4-[[4-(methylthio)phenyl]methyl]-2,5-dihydropyrrole-2-carboxylic acid IUPAC Name: (2S)-1-(3-acetylsulfanyl-2-methylpropanoyl)-4-[(4-methylsulfanylphenyl)methyl]-2,5-dihydropyrrole-2-carboxylic acid Traditional Name: (2S)-1-[3-(acetylthio)-2-methyl-propanoyl]-4-[4-(methylthio)benzyl]-3-pyrroline-2-carboxylic acid Formula: C19H23NO4S2 MolecularWeight: 393.52022

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Descriptors Computed from Structure

Canonical SMILES:

CC(CSC(=O)C)C(=O)N1CC(=CC1C(=O)O)CC2=CC=C(C=C2)SC

Isomeric SMILES

CC(CSC(=O)C)C(=O)N1CC(=C[C@H]1C(=O)O)CC2=CC=C(C=C2)SC

InChI

InChI=1S/C19H23NO4S2/c1-12(11-26-13(2)21)18(22)20-10-15(9-17(20)19(23)24)8-14-4-6-16(25-3)7-5-14/h4-7,9,12,17H,8,10-11H2,1-3H3,(H,23,24)/t12?,17-/m0/s1