2-[3-(cyclohexylamino)-3-oxidanylidene-propyl]sulfanylpyridine-3-carboxylic acid

Systemtic Name: 2-[3-(cyclohexylamino)-3-oxidanylidene-propyl]sulfanylpyridine-3-carboxylic acid Openeye Name: 2-[3-(cyclohexylamino)-3-oxo-propyl]sulfanylpyridine-3-carboxylic acid CAS Name: 2-[[3-(cyclohexylamino)-3-oxopropyl]thio]-3-pyridinecarboxylic acid IUPAC Name: 2-[3-(cyclohexylamino)-3-oxopropyl]sulfanylpyridine-3-carboxylic acid Traditional Name: 2-[[3-(cyclohexylamino)-3-keto-propyl]thio]nicotinic acid Formula: C15H20N2O3S MolecularWeight: 308.3959

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)CCSC2=C(C=CC=N2)C(=O)O

Isomeric SMILES

C1CCC(CC1)NC(=O)CCSC2=C(C=CC=N2)C(=O)O

InChI

InChI=1S/C15H20N2O3S/c18-13(17-11-5-2-1-3-6-11)8-10-21-14-12(15(19)20)7-4-9-16-14/h4,7,9,11H,1-3,5-6,8,10H2,(H,17,18)(H,19,20)