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

Systemtic Name: (4-methylsulfanylphenyl)methyl 3-bromanyladamantane-1-carboxylate Openeye Name: (4-methylsulfanylphenyl)methyl 3-bromoadamantane-1-carboxylate CAS Name: 3-bromo-1-adamantanecarboxylic acid [4-(methylthio)phenyl]methyl ester IUPAC Name: (4-methylsulfanylphenyl)methyl 3-bromoadamantane-1-carboxylate Traditional Name: 3-bromoadamantane-1-carboxylic acid [4-(methylthio)benzyl] ester Formula: C19H23BrO2S MolecularWeight: 395.35372

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)COC(=O)C23CC4CC(C2)CC(C4)(C3)Br

Isomeric SMILES

CSC1=CC=C(C=C1)COC(=O)C23CC4CC(C2)CC(C4)(C3)Br

InChI

InChI=1S/C19H23BrO2S/c1-23-16-4-2-13(3-5-16)11-22-17(21)18-7-14-6-15(8-18)10-19(20,9-14)12-18/h2-5,14-15H,6-12H2,1H3