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

Systemtic Name: 6-[(Z)-2-[(2,2-dimethylcyclopropyl)carbonylamino]-1-oxidanyl-1-oxidanylidene-hept-2-en-3-yl]sulfanylpyridine-3-carboxylic acid Openeye Name: 6-[(1Z)-1-[1-[(2,2-dimethylcyclopropanecarbonyl)amino]-2-hydroxy-2-oxo-ethylidene]pentyl]sulfanylpyridine-3-carboxylic acid CAS Name: 6-[[(Z)-2-[[(2,2-dimethylcyclopropyl)-oxomethyl]amino]-1-hydroxy-1-oxohept-2-en-3-yl]thio]-3-pyridinecarboxylic acid IUPAC Name: 6-[(Z)-2-[(2,2-dimethylcyclopropanecarbonyl)amino]-1-hydroxy-1-oxohept-2-en-3-yl]sulfanylpyridine-3-carboxylic acid Traditional Name: 6-[[(Z)-1-butyl-2-[(2,2-dimethylcyclopropanecarbonyl)amino]-3-hydroxy-3-keto-prop-1-enyl]thio]nicotinic acid Formula: C19H24N2O5S MolecularWeight: 392.46926

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=C(C(=O)O)NC(=O)C1CC1(C)C)SC2=NC=C(C=C2)C(=O)O

Isomeric SMILES

CCCC/C(=C(\C(=O)O)/NC(=O)C1CC1(C)C)/SC2=NC=C(C=C2)C(=O)O

InChI

InChI=1S/C19H24N2O5S/c1-4-5-6-13(27-14-8-7-11(10-20-14)17(23)24)15(18(25)26)21-16(22)12-9-19(12,2)3/h7-8,10,12H,4-6,9H2,1-3H3,(H,21,22)(H,23,24)(H,25,26)/b15-13-