[2-(1-adamantylamino)-2-oxidanylidene-ethyl] 2-phenyl-2-phenylsulfanyl-ethanoate

Systemtic Name: [2-(1-adamantylamino)-2-oxidanylidene-ethyl] 2-phenyl-2-phenylsulfanyl-ethanoate Openeye Name: [2-(1-adamantylamino)-2-oxo-ethyl] 2-phenyl-2-phenylsulfanyl-acetate CAS Name: 2-phenyl-2-(phenylthio)acetic acid [2-(1-adamantylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylamino)-2-oxoethyl] 2-phenyl-2-phenylsulfanylacetate Traditional Name: 2-phenyl-2-(phenylthio)acetic acid [2-(1-adamantylamino)-2-keto-ethyl] ester Formula: C26H29NO3S MolecularWeight: 435.57836

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)COC(=O)C(C4=CC=CC=C4)SC5=CC=CC=C5

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)COC(=O)C(C4=CC=CC=C4)SC5=CC=CC=C5

InChI

InChI=1S/C26H29NO3S/c28-23(27-26-14-18-11-19(15-26)13-20(12-18)16-26)17-30-25(29)24(21-7-3-1-4-8-21)31-22-9-5-2-6-10-22/h1-10,18-20,24H,11-17H2,(H,27,28)