(2S)-1-(3-ethanoylsulfanylbutanoyl)-4-pyridin-3-yl-2,5-dihydropyrrole-2-carboxylic acid

Systemtic Name: (2S)-1-(3-ethanoylsulfanylbutanoyl)-4-pyridin-3-yl-2,5-dihydropyrrole-2-carboxylic acid Openeye Name: (2S)-1-(3-acetylsulfanylbutanoyl)-4-(3-pyridyl)-2,5-dihydropyrrole-2-carboxylic acid CAS Name: (2S)-1-[3-(acetylthio)-1-oxobutyl]-4-(3-pyridinyl)-2,5-dihydropyrrole-2-carboxylic acid IUPAC Name: (2S)-1-(3-acetylsulfanylbutanoyl)-4-pyridin-3-yl-2,5-dihydropyrrole-2-carboxylic acid Traditional Name: (2S)-1-[3-(acetylthio)butanoyl]-4-(3-pyridyl)-3-pyrroline-2-carboxylic acid Formula: C16H18N2O4S MolecularWeight: 334.39012

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)N1CC(=CC1C(=O)O)C2=CN=CC=C2)SC(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C16H18N2O4S/c1-10(23-11(2)19)6-15(20)18-9-13(7-14(18)16(21)22)12-4-3-5-17-8-12/h3-5,7-8,10,14H,6,9H2,1-2H3,(H,21,22)/t10?,14-/m0/s1