[2-adamantylcarbonyloxy-[5-(sulfanylmethyl)pyridin-2-yl]methyl] 2-methyladamantane-1-carboxylate

Systemtic Name: [2-adamantylcarbonyloxy-[5-(sulfanylmethyl)pyridin-2-yl]methyl] 2-methyladamantane-1-carboxylate Openeye Name: [adamantane-2-carbonyloxy-[5-(sulfanylmethyl)-2-pyridyl]methyl] 2-methyladamantane-1-carboxylate CAS Name: 2-methyl-1-adamantanecarboxylic acid [[2-adamantyl(oxo)methoxy]-[5-(mercaptomethyl)-2-pyridinyl]methyl] ester IUPAC Name: [adamantane-2-carbonyloxy-[5-(sulfanylmethyl)pyridin-2-yl]methyl] 2-methyladamantane-1-carboxylate Traditional Name: 2-methyladamantane-1-carboxylic acid [adamantane-2-carbonyloxy-[5-(mercaptomethyl)-2-pyridyl]methyl] ester Formula: C30H39NO4S MolecularWeight: 509.69996

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2CC3CC(C2)CC1(C3)C(=O)OC(C4=NC=C(C=C4)CS)OC(=O)C5C6CC7CC(C6)CC5C7

Isomeric SMILES

CC1C2CC3CC(C2)CC1(C3)C(=O)OC(C4=NC=C(C=C4)CS)OC(=O)C5C6CC7CC(C6)CC5C7

InChI

InChI=1S/C30H39NO4S/c1-16-22-10-20-5-21(11-22)13-30(16,12-20)29(33)35-28(25-3-2-17(15-36)14-31-25)34-27(32)26-23-6-18-4-19(8-23)9-24(26)7-18/h2-3,14,16,18-24,26,28,36H,4-13,15H2,1H3