(4-methylsulfanylphenyl)methyl 2-[(5S,7R)-3-oxidanyl-1-adamantyl]ethanoate

Systemtic Name: (4-methylsulfanylphenyl)methyl 2-[(5S,7R)-3-oxidanyl-1-adamantyl]ethanoate Openeye Name: (4-methylsulfanylphenyl)methyl 2-[(5S,7R)-3-hydroxy-1-adamantyl]acetate CAS Name: 2-[(5S,7R)-3-hydroxy-1-adamantyl]acetic acid [4-(methylthio)phenyl]methyl ester IUPAC Name: (4-methylsulfanylphenyl)methyl 2-[(5S,7R)-3-hydroxy-1-adamantyl]acetate Traditional Name: 2-[(5S,7R)-3-hydroxy-1-adamantyl]acetic acid [4-(methylthio)benzyl] ester Formula: C20H26O3S MolecularWeight: 346.48364

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)COC(=O)CC23CC4CC(C2)CC(C4)(C3)O

Isomeric SMILES

CSC1=CC=C(C=C1)COC(=O)CC23C[C@H]4C[C@@H](C2)CC(C4)(C3)O

InChI

InChI=1S/C20H26O3S/c1-24-17-4-2-14(3-5-17)12-23-18(21)11-19-7-15-6-16(8-19)10-20(22,9-15)13-19/h2-5,15-16,22H,6-13H2,1H3/t15-,16+,19?,20?