(2S)-1-(3-ethanoylsulfanyl-2-methyl-propanoyl)-4-(pyridin-4-ylmethyl)-2,5-dihydropyrrole-2-carboxylic acid

Systemtic Name: (2S)-1-(3-ethanoylsulfanyl-2-methyl-propanoyl)-4-(pyridin-4-ylmethyl)-2,5-dihydropyrrole-2-carboxylic acid Openeye Name: (2S)-1-(3-acetylsulfanyl-2-methyl-propanoyl)-4-(4-pyridylmethyl)-2,5-dihydropyrrole-2-carboxylic acid CAS Name: (2S)-1-[3-(acetylthio)-2-methyl-1-oxopropyl]-4-(pyridin-4-ylmethyl)-2,5-dihydropyrrole-2-carboxylic acid IUPAC Name: (2S)-1-(3-acetylsulfanyl-2-methylpropanoyl)-4-(pyridin-4-ylmethyl)-2,5-dihydropyrrole-2-carboxylic acid Traditional Name: (2S)-1-[3-(acetylthio)-2-methyl-propanoyl]-4-(4-pyridylmethyl)-3-pyrroline-2-carboxylic acid Formula: C17H20N2O4S MolecularWeight: 348.4167

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20N2O4S/c1-11(10-24-12(2)20)16(21)19-9-14(8-15(19)17(22)23)7-13-3-5-18-6-4-13/h3-6,8,11,15H,7,9-10H2,1-2H3,(H,22,23)/t11?,15-/m0/s1