2-[2-(1-adamantylamino)-2-oxidanylidene-ethyl]sulfanylpyridine-3-carboxylate

Systemtic Name: 2-[2-(1-adamantylamino)-2-oxidanylidene-ethyl]sulfanylpyridine-3-carboxylate Openeye Name: 2-[2-(1-adamantylamino)-2-oxo-ethyl]sulfanylpyridine-3-carboxylate CAS Name: 2-[[2-(1-adamantylamino)-2-oxoethyl]thio]-3-pyridinecarboxylate IUPAC Name: 2-[2-(1-adamantylamino)-2-oxoethyl]sulfanylpyridine-3-carboxylate Traditional Name: 2-[[2-(1-adamantylamino)-2-keto-ethyl]thio]nicotinate Formula: C18H21N2O3S- MolecularWeight: 345.43594

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)CSC4=C(C=CC=N4)C(=O)[O-]

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)CSC4=C(C=CC=N4)C(=O)[O-]

InChI

InChI=1S/C18H22N2O3S/c21-15(10-24-16-14(17(22)23)2-1-3-19-16)20-18-7-11-4-12(8-18)6-13(5-11)9-18/h1-3,11-13H,4-10H2,(H,20,21)(H,22,23)/p-1