[(2R)-1-(1-adamantylamino)-1-oxidanylidene-propan-2-yl] 2-phenylsulfanylethanoate

Systemtic Name: [(2R)-1-(1-adamantylamino)-1-oxidanylidene-propan-2-yl] 2-phenylsulfanylethanoate Openeye Name: [(1R)-2-(1-adamantylamino)-1-methyl-2-oxo-ethyl] 2-phenylsulfanylacetate CAS Name: 2-(phenylthio)acetic acid [(2R)-1-(1-adamantylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(1-adamantylamino)-1-oxopropan-2-yl] 2-phenylsulfanylacetate Traditional Name: 2-(phenylthio)acetic acid [(1R)-2-(1-adamantylamino)-2-keto-1-methyl-ethyl] ester Formula: C21H27NO3S MolecularWeight: 373.50898

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC12CC3CC(C1)CC(C3)C2)OC(=O)CSC4=CC=CC=C4

Isomeric SMILES

C[C@H](C(=O)NC12CC3CC(C1)CC(C3)C2)OC(=O)CSC4=CC=CC=C4

InChI

InChI=1S/C21H27NO3S/c1-14(25-19(23)13-26-18-5-3-2-4-6-18)20(24)22-21-10-15-7-16(11-21)9-17(8-15)12-21/h2-6,14-17H,7-13H2,1H3,(H,22,24)/t14-,15?,16?,17?,21?/m1/s1