(4E)-3-oxidanylidene-4-(pyridin-2-ylmethylidene)-2-sulfanyl-heptanoic acid

Systemtic Name: (4E)-3-oxidanylidene-4-(pyridin-2-ylmethylidene)-2-sulfanyl-heptanoic acid Openeye Name: (4E)-3-oxo-4-(2-pyridylmethylene)-2-sulfanyl-heptanoic acid CAS Name: (4E)-2-mercapto-3-oxo-4-(2-pyridinylmethylidene)heptanoic acid IUPAC Name: (4E)-3-oxo-4-(pyridin-2-ylmethylidene)-2-sulfanylheptanoic acid Traditional Name: (E)-3-keto-2-mercapto-4-propyl-5-(2-pyridyl)pent-4-enoic acid Formula: C13H15NO3S MolecularWeight: 265.3281

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=CC1=CC=CC=N1)C(=O)C(C(=O)O)S

Isomeric SMILES

CCC/C(=C\C1=CC=CC=N1)/C(=O)C(C(=O)O)S

InChI

InChI=1S/C13H15NO3S/c1-2-5-9(11(15)12(18)13(16)17)8-10-6-3-4-7-14-10/h3-4,6-8,12,18H,2,5H2,1H3,(H,16,17)/b9-8+