methyl 2-[2-(1-adamantyl)-2-oxidanylidene-ethyl]sulfanylbenzoate

Systemtic Name: methyl 2-[2-(1-adamantyl)-2-oxidanylidene-ethyl]sulfanylbenzoate Openeye Name: methyl 2-[2-(1-adamantyl)-2-oxo-ethyl]sulfanylbenzoate CAS Name: 2-[[2-(1-adamantyl)-2-oxoethyl]thio]benzoic acid methyl ester IUPAC Name: methyl 2-[2-(1-adamantyl)-2-oxoethyl]sulfanylbenzoate Traditional Name: 2-[[2-(1-adamantyl)-2-keto-ethyl]thio]benzoic acid methyl ester Formula: C20H24O3S MolecularWeight: 344.46776

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1SCC(=O)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

COC(=O)C1=CC=CC=C1SCC(=O)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C20H24O3S/c1-23-19(22)16-4-2-3-5-17(16)24-12-18(21)20-9-13-6-14(10-20)8-15(7-13)11-20/h2-5,13-15H,6-12H2,1H3