[2-(2-adamantylsulfanyl)-1-ethanoyl-6-oxidanyl-3,6-dihydro-2H-pyridin-3-yl] ethanoate

Systemtic Name: [2-(2-adamantylsulfanyl)-1-ethanoyl-6-oxidanyl-3,6-dihydro-2H-pyridin-3-yl] ethanoate Openeye Name: [1-acetyl-2-(2-adamantylsulfanyl)-6-hydroxy-3,6-dihydro-2H-pyridin-3-yl] acetate CAS Name: acetic acid [1-acetyl-2-(2-adamantylthio)-6-hydroxy-3,6-dihydro-2H-pyridin-3-yl] ester IUPAC Name: [1-acetyl-2-(2-adamantylsulfanyl)-6-hydroxy-3,6-dihydro-2H-pyridin-3-yl] acetate Traditional Name: acetic acid [1-acetyl-2-(2-adamantylthio)-6-hydroxy-3,6-dihydro-2H-pyridin-3-yl] ester Formula: C19H27NO4S MolecularWeight: 365.48698

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C(C=CC(C1SC2C3CC4CC(C3)CC2C4)OC(=O)C)O

Isomeric SMILES

CC(=O)N1C(C=CC(C1SC2C3CC4CC(C3)CC2C4)OC(=O)C)O

InChI

InChI=1S/C19H27NO4S/c1-10(21)20-17(23)4-3-16(24-11(2)22)19(20)25-18-14-6-12-5-13(8-14)9-15(18)7-12/h3-4,12-19,23H,5-9H2,1-2H3