2-[2-(1-adamantyl)-2-oxidanylidene-ethyl]sulfanylpyridine-3-carboxylic acid

Systemtic Name: 2-[2-(1-adamantyl)-2-oxidanylidene-ethyl]sulfanylpyridine-3-carboxylic acid Openeye Name: 2-[2-(1-adamantyl)-2-oxo-ethyl]sulfanylpyridine-3-carboxylic acid CAS Name: 2-[[2-(1-adamantyl)-2-oxoethyl]thio]-3-pyridinecarboxylic acid IUPAC Name: 2-[2-(1-adamantyl)-2-oxoethyl]sulfanylpyridine-3-carboxylic acid Traditional Name: 2-[[2-(1-adamantyl)-2-keto-ethyl]thio]nicotinic acid Formula: C18H21NO3S MolecularWeight: 331.42924

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)CSC4=C(C=CC=N4)C(=O)O

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)CSC4=C(C=CC=N4)C(=O)O

InChI

InChI=1S/C18H21NO3S/c20-15(10-23-16-14(17(21)22)2-1-3-19-16)18-7-11-4-12(8-18)6-13(5-11)9-18/h1-3,11-13H,4-10H2,(H,21,22)