(4-methylsulfanylphenyl)methyl 3-acetamidoadamantane-1-carboxylate

Systemtic Name: (4-methylsulfanylphenyl)methyl 3-acetamidoadamantane-1-carboxylate Openeye Name: (4-methylsulfanylphenyl)methyl 3-acetamidoadamantane-1-carboxylate CAS Name: 3-acetamido-1-adamantanecarboxylic acid [4-(methylthio)phenyl]methyl ester IUPAC Name: (4-methylsulfanylphenyl)methyl 3-acetamidoadamantane-1-carboxylate Traditional Name: 3-acetamidoadamantane-1-carboxylic acid [4-(methylthio)benzyl] ester Formula: C21H27NO3S MolecularWeight: 373.50898

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC12CC3CC(C1)CC(C3)(C2)C(=O)OCC4=CC=C(C=C4)SC

Isomeric SMILES

CC(=O)NC12CC3CC(C1)CC(C3)(C2)C(=O)OCC4=CC=C(C=C4)SC

InChI

InChI=1S/C21H27NO3S/c1-14(23)22-21-10-16-7-17(11-21)9-20(8-16,13-21)19(24)25-12-15-3-5-18(26-2)6-4-15/h3-6,16-17H,7-13H2,1-2H3,(H,22,23)