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

Systemtic Name: (2S)-4-pyridin-3-yl-1-(3-sulfanylbutanoyl)-2,5-dihydropyrrole-2-carboxylic acid Openeye Name: (2S)-4-(3-pyridyl)-1-(3-sulfanylbutanoyl)-2,5-dihydropyrrole-2-carboxylic acid CAS Name: (2S)-1-(3-mercapto-1-oxobutyl)-4-(3-pyridinyl)-2,5-dihydropyrrole-2-carboxylic acid IUPAC Name: (2S)-4-pyridin-3-yl-1-(3-sulfanylbutanoyl)-2,5-dihydropyrrole-2-carboxylic acid Traditional Name: (2S)-1-(3-mercaptobutanoyl)-4-(3-pyridyl)-3-pyrroline-2-carboxylic acid Formula: C14H16N2O3S MolecularWeight: 292.35344

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)N1CC(=CC1C(=O)O)C2=CN=CC=C2)S

Isomeric SMILES

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

InChI

InChI=1S/C14H16N2O3S/c1-9(20)5-13(17)16-8-11(6-12(16)14(18)19)10-3-2-4-15-7-10/h2-4,6-7,9,12,20H,5,8H2,1H3,(H,18,19)/t9?,12-/m0/s1