(4-methyl-2-sulfanylidene-pyridin-1-yl) adamantane-1-carboxylate

Systemtic Name: (4-methyl-2-sulfanylidene-pyridin-1-yl) adamantane-1-carboxylate Openeye Name: (4-methyl-2-thioxo-1-pyridyl) adamantane-1-carboxylate CAS Name: 1-adamantanecarboxylic acid (4-methyl-2-sulfanylidene-1-pyridinyl) ester IUPAC Name: (4-methyl-2-sulfanylidenepyridin-1-yl) adamantane-1-carboxylate Traditional Name: adamantane-1-carboxylic acid (4-methyl-2-thioxo-1-pyridyl) ester Formula: C17H21NO2S MolecularWeight: 303.41914

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=S)N(C=C1)OC(=O)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC1=CC(=S)N(C=C1)OC(=O)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C17H21NO2S/c1-11-2-3-18(15(21)4-11)20-16(19)17-8-12-5-13(9-17)7-14(6-12)10-17/h2-4,12-14H,5-10H2,1H3