(5-chloranyl-1-methyl-imidazol-2-yl)methyl 2-[2-(1-adamantylamino)-2-oxidanylidene-ethyl]sulfanylbenzoate

Systemtic Name: (5-chloranyl-1-methyl-imidazol-2-yl)methyl 2-[2-(1-adamantylamino)-2-oxidanylidene-ethyl]sulfanylbenzoate Openeye Name: (5-chloro-1-methyl-imidazol-2-yl)methyl 2-[2-(1-adamantylamino)-2-oxo-ethyl]sulfanylbenzoate CAS Name: 2-[[2-(1-adamantylamino)-2-oxoethyl]thio]benzoic acid (5-chloro-1-methyl-2-imidazolyl)methyl ester IUPAC Name: (5-chloro-1-methylimidazol-2-yl)methyl 2-[2-(1-adamantylamino)-2-oxoethyl]sulfanylbenzoate Traditional Name: 2-[[2-(1-adamantylamino)-2-keto-ethyl]thio]benzoic acid (5-chloro-1-methyl-imidazol-2-yl)methyl ester Formula: C24H28ClN3O3S MolecularWeight: 474.01542

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CN=C1COC(=O)C2=CC=CC=C2SCC(=O)NC34CC5CC(C3)CC(C5)C4)Cl

Isomeric SMILES

CN1C(=CN=C1COC(=O)C2=CC=CC=C2SCC(=O)NC34CC5CC(C3)CC(C5)C4)Cl

InChI

InChI=1S/C24H28ClN3O3S/c1-28-20(25)12-26-21(28)13-31-23(30)18-4-2-3-5-19(18)32-14-22(29)27-24-9-15-6-16(10-24)8-17(7-15)11-24/h2-5,12,15-17H,6-11,13-14H2,1H3,(H,27,29)