[5-(sulfanylmethyl)pyridin-2-yl]methyl 8-methyl-1-oxidanyl-adamantane-2-carboxylate

Systemtic Name: [5-(sulfanylmethyl)pyridin-2-yl]methyl 8-methyl-1-oxidanyl-adamantane-2-carboxylate Openeye Name: [5-(sulfanylmethyl)-2-pyridyl]methyl 1-hydroxy-8-methyl-adamantane-2-carboxylate CAS Name: 1-hydroxy-8-methyl-2-adamantanecarboxylic acid [5-(mercaptomethyl)-2-pyridinyl]methyl ester IUPAC Name: [5-(sulfanylmethyl)pyridin-2-yl]methyl 1-hydroxy-8-methyladamantane-2-carboxylate Traditional Name: 1-hydroxy-8-methyl-adamantane-2-carboxylic acid [5-(mercaptomethyl)-2-pyridyl]methyl ester Formula: C19H25NO3S MolecularWeight: 347.4717

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2CC3CC(C2)C(C1(C3)O)C(=O)OCC4=NC=C(C=C4)CS

Isomeric SMILES

CC1C2CC3CC(C2)C(C1(C3)O)C(=O)OCC4=NC=C(C=C4)CS

InChI

InChI=1S/C19H25NO3S/c1-11-14-4-13-5-15(6-14)17(19(11,22)7-13)18(21)23-9-16-3-2-12(10-24)8-20-16/h2-3,8,11,13-15,17,22,24H,4-7,9-10H2,1H3