S-[3-(2-adamantylamino)-3-oxidanylidene-propyl] ethanethioate

Systemtic Name: S-[3-(2-adamantylamino)-3-oxidanylidene-propyl] ethanethioate Openeye Name: S-[3-(2-adamantylamino)-3-oxo-propyl] ethanethioate CAS Name: ethanethioic acid S-[3-(2-adamantylamino)-3-oxopropyl] ester IUPAC Name: S-[3-(2-adamantylamino)-3-oxopropyl] ethanethioate Traditional Name: ethanethioic acid S-[3-(2-adamantylamino)-3-keto-propyl] ester Formula: C15H23NO2S MolecularWeight: 281.41362

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCCC(=O)NC1C2CC3CC(C2)CC1C3

Isomeric SMILES

CC(=O)SCCC(=O)NC1C2CC3CC(C2)CC1C3

InChI

InChI=1S/C15H23NO2S/c1-9(17)19-3-2-14(18)16-15-12-5-10-4-11(7-12)8-13(15)6-10/h10-13,15H,2-8H2,1H3,(H,16,18)