pyridin-2-ylmethyl 2-[2-(1-adamantylamino)-2-oxidanylidene-ethyl]sulfanylbenzoate

Systemtic Name: pyridin-2-ylmethyl 2-[2-(1-adamantylamino)-2-oxidanylidene-ethyl]sulfanylbenzoate Openeye Name: 2-pyridylmethyl 2-[2-(1-adamantylamino)-2-oxo-ethyl]sulfanylbenzoate CAS Name: 2-[[2-(1-adamantylamino)-2-oxoethyl]thio]benzoic acid 2-pyridinylmethyl ester IUPAC Name: pyridin-2-ylmethyl 2-[2-(1-adamantylamino)-2-oxoethyl]sulfanylbenzoate Traditional Name: 2-[[2-(1-adamantylamino)-2-keto-ethyl]thio]benzoic acid 2-pyridylmethyl ester Formula: C25H28N2O3S MolecularWeight: 436.56642

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)CSC4=CC=CC=C4C(=O)OCC5=CC=CC=N5

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)CSC4=CC=CC=C4C(=O)OCC5=CC=CC=N5

InChI

InChI=1S/C25H28N2O3S/c28-23(27-25-12-17-9-18(13-25)11-19(10-17)14-25)16-31-22-7-2-1-6-21(22)24(29)30-15-20-5-3-4-8-26-20/h1-8,17-19H,9-16H2,(H,27,28)