2-[3-(1-adamantylmethylcarbamoyl)pyridin-2-yl]sulfanylethanoic acid

Systemtic Name: 2-[3-(1-adamantylmethylcarbamoyl)pyridin-2-yl]sulfanylethanoic acid Openeye Name: 2-[[3-(1-adamantylmethylcarbamoyl)-2-pyridyl]sulfanyl]acetic acid CAS Name: 2-[[3-[(1-adamantylmethylamino)-oxomethyl]-2-pyridinyl]thio]acetic acid IUPAC Name: 2-[3-(1-adamantylmethylcarbamoyl)pyridin-2-yl]sulfanylacetic acid Traditional Name: 2-[[3-(1-adamantylmethylcarbamoyl)-2-pyridyl]thio]acetic acid Formula: C19H24N2O3S MolecularWeight: 360.47046

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)CNC(=O)C4=C(N=CC=C4)SCC(=O)O

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)CNC(=O)C4=C(N=CC=C4)SCC(=O)O

InChI

InChI=1S/C19H24N2O3S/c22-16(23)10-25-18-15(2-1-3-20-18)17(24)21-11-19-7-12-4-13(8-19)6-14(5-12)9-19/h1-3,12-14H,4-11H2,(H,21,24)(H,22,23)