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

Systemtic Name: (2S)-1-(3-ethanoylsulfanyl-2-methyl-propanoyl)-4-phenyl-2,5-dihydropyrrole-2-carboxylic acid Openeye Name: (2S)-1-(3-acetylsulfanyl-2-methyl-propanoyl)-4-phenyl-2,5-dihydropyrrole-2-carboxylic acid CAS Name: (2S)-1-[3-(acetylthio)-2-methyl-1-oxopropyl]-4-phenyl-2,5-dihydropyrrole-2-carboxylic acid IUPAC Name: (2S)-1-(3-acetylsulfanyl-2-methylpropanoyl)-4-phenyl-2,5-dihydropyrrole-2-carboxylic acid Traditional Name: (2S)-1-[3-(acetylthio)-2-methyl-propanoyl]-4-phenyl-3-pyrroline-2-carboxylic acid Formula: C17H19NO4S MolecularWeight: 333.40206

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19NO4S/c1-11(10-23-12(2)19)16(20)18-9-14(8-15(18)17(21)22)13-6-4-3-5-7-13/h3-8,11,15H,9-10H2,1-2H3,(H,21,22)/t11?,15-/m0/s1