6-[(E)-6-[(2,2-dimethylcyclopropyl)carbonylamino]-7-oxidanyl-7-oxidanylidene-hept-5-enyl]sulfanylpyridine-3-carboxylic acid

Systemtic Name: 6-[(E)-6-[(2,2-dimethylcyclopropyl)carbonylamino]-7-oxidanyl-7-oxidanylidene-hept-5-enyl]sulfanylpyridine-3-carboxylic acid Openeye Name: 6-[(E)-6-[(2,2-dimethylcyclopropanecarbonyl)amino]-7-hydroxy-7-oxo-hept-5-enyl]sulfanylpyridine-3-carboxylic acid CAS Name: 6-[[(E)-6-[[(2,2-dimethylcyclopropyl)-oxomethyl]amino]-7-hydroxy-7-oxohept-5-enyl]thio]-3-pyridinecarboxylic acid IUPAC Name: 6-[(E)-6-[(2,2-dimethylcyclopropanecarbonyl)amino]-7-hydroxy-7-oxohept-5-enyl]sulfanylpyridine-3-carboxylic acid Traditional Name: 6-[[(E)-6-[(2,2-dimethylcyclopropanecarbonyl)amino]-7-hydroxy-7-keto-hept-5-enyl]thio]nicotinic acid Formula: C19H24N2O5S MolecularWeight: 392.46926

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC1C(=O)NC(=CCCCCSC2=NC=C(C=C2)C(=O)O)C(=O)O)C

Isomeric SMILES

CC1(CC1C(=O)N/C(=C/CCCCSC2=NC=C(C=C2)C(=O)O)/C(=O)O)C

InChI

InChI=1S/C19H24N2O5S/c1-19(2)10-13(19)16(22)21-14(18(25)26)6-4-3-5-9-27-15-8-7-12(11-20-15)17(23)24/h6-8,11,13H,3-5,9-10H2,1-2H3,(H,21,22)(H,23,24)(H,25,26)/b14-6+