2-[(Z)-2-[(2,2-dimethylcyclopropyl)carbonylamino]-1-oxidanyl-1-oxidanylidene-hept-2-en-3-yl]sulfanylpyridine-3-carboxylic acid

Systemtic Name: 2-[(Z)-2-[(2,2-dimethylcyclopropyl)carbonylamino]-1-oxidanyl-1-oxidanylidene-hept-2-en-3-yl]sulfanylpyridine-3-carboxylic acid Openeye Name: 2-[(1Z)-1-[1-[(2,2-dimethylcyclopropanecarbonyl)amino]-2-hydroxy-2-oxo-ethylidene]pentyl]sulfanylpyridine-3-carboxylic acid CAS Name: 2-[[(Z)-2-[[(2,2-dimethylcyclopropyl)-oxomethyl]amino]-1-hydroxy-1-oxohept-2-en-3-yl]thio]-3-pyridinecarboxylic acid IUPAC Name: 2-[(Z)-2-[(2,2-dimethylcyclopropanecarbonyl)amino]-1-hydroxy-1-oxohept-2-en-3-yl]sulfanylpyridine-3-carboxylic acid Traditional Name: 2-[[(Z)-1-butyl-2-[(2,2-dimethylcyclopropanecarbonyl)amino]-3-hydroxy-3-keto-prop-1-enyl]thio]nicotinic acid Formula: C19H24N2O5S MolecularWeight: 392.46926

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=C(C(=O)O)NC(=O)C1CC1(C)C)SC2=C(C=CC=N2)C(=O)O

Isomeric SMILES

CCCC/C(=C(\C(=O)O)/NC(=O)C1CC1(C)C)/SC2=C(C=CC=N2)C(=O)O

InChI

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