(4-methylsulfanylphenyl)methyl (5S,7R)-3-oxidanyladamantane-1-carboxylate

Systemtic Name: (4-methylsulfanylphenyl)methyl (5S,7R)-3-oxidanyladamantane-1-carboxylate Openeye Name: (4-methylsulfanylphenyl)methyl (5S,7R)-3-hydroxyadamantane-1-carboxylate CAS Name: (5S,7R)-3-hydroxy-1-adamantanecarboxylic acid [4-(methylthio)phenyl]methyl ester IUPAC Name: (4-methylsulfanylphenyl)methyl (5S,7R)-3-hydroxyadamantane-1-carboxylate Traditional Name: (5S,7R)-3-hydroxyadamantane-1-carboxylic acid [4-(methylthio)benzyl] ester Formula: C19H24O3S MolecularWeight: 332.45706

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CSC1=CC=C(C=C1)COC(=O)C23C[C@H]4C[C@@H](C2)CC(C4)(C3)O

InChI

InChI=1S/C19H24O3S/c1-23-16-4-2-13(3-5-16)11-22-17(20)18-7-14-6-15(8-18)10-19(21,9-14)12-18/h2-5,14-15,21H,6-12H2,1H3/t14-,15+,18?,19?