methyl 2-[[2-[2-(1-adamantylamino)-2-oxidanylidene-ethyl]sulfanylphenyl]carbonyloxymethyl]furan-3-carboxylate

Systemtic Name: methyl 2-[[2-[2-(1-adamantylamino)-2-oxidanylidene-ethyl]sulfanylphenyl]carbonyloxymethyl]furan-3-carboxylate Openeye Name: methyl 2-[[2-[2-(1-adamantylamino)-2-oxo-ethyl]sulfanylbenzoyl]oxymethyl]furan-3-carboxylate CAS Name: 2-[[[2-[[2-(1-adamantylamino)-2-oxoethyl]thio]phenyl]-oxomethoxy]methyl]-3-furancarboxylic acid methyl ester IUPAC Name: methyl 2-[[2-[2-(1-adamantylamino)-2-oxoethyl]sulfanylbenzoyl]oxymethyl]furan-3-carboxylate Traditional Name: 2-[[2-[[2-(1-adamantylamino)-2-keto-ethyl]thio]benzoyl]oxymethyl]furan-3-carboxylic acid methyl ester Formula: C26H29NO6S MolecularWeight: 483.57656

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(OC=C1)COC(=O)C2=CC=CC=C2SCC(=O)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

COC(=O)C1=C(OC=C1)COC(=O)C2=CC=CC=C2SCC(=O)NC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C26H29NO6S/c1-31-24(29)19-6-7-32-21(19)14-33-25(30)20-4-2-3-5-22(20)34-15-23(28)27-26-11-16-8-17(12-26)10-18(9-16)13-26/h2-7,16-18H,8-15H2,1H3,(H,27,28)