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

Systemtic Name: (2S)-1-(3-ethanoylsulfanyl-2-methyl-propanoyl)-4-thiophen-2-yl-2,5-dihydropyrrole-2-carboxylic acid Openeye Name: (2S)-1-(3-acetylsulfanyl-2-methyl-propanoyl)-4-(2-thienyl)-2,5-dihydropyrrole-2-carboxylic acid CAS Name: (2S)-1-[3-(acetylthio)-2-methyl-1-oxopropyl]-4-thiophen-2-yl-2,5-dihydropyrrole-2-carboxylic acid IUPAC Name: (2S)-1-(3-acetylsulfanyl-2-methylpropanoyl)-4-thiophen-2-yl-2,5-dihydropyrrole-2-carboxylic acid Traditional Name: (2S)-1-[3-(acetylthio)-2-methyl-propanoyl]-4-(2-thienyl)-3-pyrroline-2-carboxylic acid Formula: C15H17NO4S2 MolecularWeight: 339.42978

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Descriptors Computed from Structure

Canonical SMILES:

CC(CSC(=O)C)C(=O)N1CC(=CC1C(=O)O)C2=CC=CS2

Isomeric SMILES

CC(CSC(=O)C)C(=O)N1CC(=C[C@H]1C(=O)O)C2=CC=CS2

InChI

InChI=1S/C15H17NO4S2/c1-9(8-22-10(2)17)14(18)16-7-11(6-12(16)15(19)20)13-4-3-5-21-13/h3-6,9,12H,7-8H2,1-2H3,(H,19,20)/t9?,12-/m0/s1