phenyl 2-[2-(1-adamantylamino)-2-oxidanylidene-ethyl]sulfanylbenzoate

Systemtic Name: phenyl 2-[2-(1-adamantylamino)-2-oxidanylidene-ethyl]sulfanylbenzoate Openeye Name: phenyl 2-[2-(1-adamantylamino)-2-oxo-ethyl]sulfanylbenzoate CAS Name: 2-[[2-(1-adamantylamino)-2-oxoethyl]thio]benzoic acid phenyl ester IUPAC Name: phenyl 2-[2-(1-adamantylamino)-2-oxoethyl]sulfanylbenzoate Traditional Name: 2-[[2-(1-adamantylamino)-2-keto-ethyl]thio]benzoic acid phenyl ester Formula: C25H27NO3S MolecularWeight: 421.55178

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)CSC4=CC=CC=C4C(=O)OC5=CC=CC=C5

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)CSC4=CC=CC=C4C(=O)OC5=CC=CC=C5

InChI

InChI=1S/C25H27NO3S/c27-23(26-25-13-17-10-18(14-25)12-19(11-17)15-25)16-30-22-9-5-4-8-21(22)24(28)29-20-6-2-1-3-7-20/h1-9,17-19H,10-16H2,(H,26,27)