(2-cyanophenyl)methyl 2-[2-(1-adamantylamino)-2-oxidanylidene-ethyl]sulfanylbenzoate

Systemtic Name: (2-cyanophenyl)methyl 2-[2-(1-adamantylamino)-2-oxidanylidene-ethyl]sulfanylbenzoate Openeye Name: (2-cyanophenyl)methyl 2-[2-(1-adamantylamino)-2-oxo-ethyl]sulfanylbenzoate CAS Name: 2-[[2-(1-adamantylamino)-2-oxoethyl]thio]benzoic acid (2-cyanophenyl)methyl ester IUPAC Name: (2-cyanophenyl)methyl 2-[2-(1-adamantylamino)-2-oxoethyl]sulfanylbenzoate Traditional Name: 2-[[2-(1-adamantylamino)-2-keto-ethyl]thio]benzoic acid (2-cyanobenzyl) ester Formula: C27H28N2O3S MolecularWeight: 460.58782

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)CSC4=CC=CC=C4C(=O)OCC5=CC=CC=C5C#N

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)CSC4=CC=CC=C4C(=O)OCC5=CC=CC=C5C#N

InChI

InChI=1S/C27H28N2O3S/c28-15-21-5-1-2-6-22(21)16-32-26(31)23-7-3-4-8-24(23)33-17-25(30)29-27-12-18-9-19(13-27)11-20(10-18)14-27/h1-8,18-20H,9-14,16-17H2,(H,29,30)