methyl 1-(1-adamantylcarbonyloxy)-2-sulfanylidene-pyridine-4-carboxylate

Systemtic Name: methyl 1-(1-adamantylcarbonyloxy)-2-sulfanylidene-pyridine-4-carboxylate Openeye Name: methyl 1-(adamantane-1-carbonyloxy)-2-thioxo-pyridine-4-carboxylate CAS Name: 1-[1-adamantyl(oxo)methoxy]-2-sulfanylidene-4-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 1-(adamantane-1-carbonyloxy)-2-sulfanylidenepyridine-4-carboxylate Traditional Name: 1-(adamantane-1-carbonyloxy)-2-thioxo-isonicotinic acid methyl ester Formula: C18H21NO4S MolecularWeight: 347.42864

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=S)N(C=C1)OC(=O)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

COC(=O)C1=CC(=S)N(C=C1)OC(=O)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C18H21NO4S/c1-22-16(20)14-2-3-19(15(24)7-14)23-17(21)18-8-11-4-12(9-18)6-13(5-11)10-18/h2-3,7,11-13H,4-6,8-10H2,1H3