[6-(1-adamantylsulfanyl)-1-ethanoyl-3,5-dimethyl-3-oxidanyl-2,6-dihydropyridin-2-yl] ethanoate

Systemtic Name: [6-(1-adamantylsulfanyl)-1-ethanoyl-3,5-dimethyl-3-oxidanyl-2,6-dihydropyridin-2-yl] ethanoate Openeye Name: [1-acetyl-6-(1-adamantylsulfanyl)-3-hydroxy-3,5-dimethyl-2,6-dihydropyridin-2-yl] acetate CAS Name: acetic acid [1-acetyl-6-(1-adamantylthio)-3-hydroxy-3,5-dimethyl-2,6-dihydropyridin-2-yl] ester IUPAC Name: [1-acetyl-6-(1-adamantylsulfanyl)-3-hydroxy-3,5-dimethyl-2,6-dihydropyridin-2-yl] acetate Traditional Name: acetic acid [1-acetyl-6-(1-adamantylthio)-3-hydroxy-3,5-dimethyl-2,6-dihydropyridin-2-yl] ester Formula: C21H31NO4S MolecularWeight: 393.54014

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(C(N(C1SC23CC4CC(C2)CC(C4)C3)C(=O)C)OC(=O)C)(C)O

Isomeric SMILES

CC1=CC(C(N(C1SC23CC4CC(C2)CC(C4)C3)C(=O)C)OC(=O)C)(C)O

InChI

InChI=1S/C21H31NO4S/c1-12-8-20(4,25)19(26-14(3)24)22(13(2)23)18(12)27-21-9-15-5-16(10-21)7-17(6-15)11-21/h8,15-19,25H,5-7,9-11H2,1-4H3