(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-[2-(1-adamantylamino)-2-oxidanylidene-ethyl]sulfanylbenzoate

Systemtic Name: (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-[2-(1-adamantylamino)-2-oxidanylidene-ethyl]sulfanylbenzoate Openeye Name: (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-[2-(1-adamantylamino)-2-oxo-ethyl]sulfanylbenzoate CAS Name: 2-[[2-(1-adamantylamino)-2-oxoethyl]thio]benzoic acid (5-phenyl-1,3,4-oxadiazol-2-yl)methyl ester IUPAC Name: (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-[2-(1-adamantylamino)-2-oxoethyl]sulfanylbenzoate Traditional Name: 2-[[2-(1-adamantylamino)-2-keto-ethyl]thio]benzoic acid (5-phenyl-1,3,4-oxadiazol-2-yl)methyl ester Formula: C28H29N3O4S MolecularWeight: 503.61256

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)CSC4=CC=CC=C4C(=O)OCC5=NN=C(O5)C6=CC=CC=C6

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)CSC4=CC=CC=C4C(=O)OCC5=NN=C(O5)C6=CC=CC=C6

InChI

InChI=1S/C28H29N3O4S/c32-24(29-28-13-18-10-19(14-28)12-20(11-18)15-28)17-36-23-9-5-4-8-22(23)27(33)34-16-25-30-31-26(35-25)21-6-2-1-3-7-21/h1-9,18-20H,10-17H2,(H,29,32)