[2-(1-adamantylamino)-2-oxidanylidene-ethyl] 2-phenylsulfanylethanoate

Systemtic Name: [2-(1-adamantylamino)-2-oxidanylidene-ethyl] 2-phenylsulfanylethanoate Openeye Name: [2-(1-adamantylamino)-2-oxo-ethyl] 2-phenylsulfanylacetate CAS Name: 2-(phenylthio)acetic acid [2-(1-adamantylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylamino)-2-oxoethyl] 2-phenylsulfanylacetate Traditional Name: 2-(phenylthio)acetic acid [2-(1-adamantylamino)-2-keto-ethyl] ester Formula: C20H25NO3S MolecularWeight: 359.4824

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)COC(=O)CSC4=CC=CC=C4

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)COC(=O)CSC4=CC=CC=C4

InChI

InChI=1S/C20H25NO3S/c22-18(12-24-19(23)13-25-17-4-2-1-3-5-17)21-20-9-14-6-15(10-20)8-16(7-14)11-20/h1-5,14-16H,6-13H2,(H,21,22)