[(2S)-1-(1-adamantylamino)-1-oxidanylidene-propan-2-yl] 4-(4-methylsulfanylphenyl)-4-oxidanylidene-butanoate

Systemtic Name: [(2S)-1-(1-adamantylamino)-1-oxidanylidene-propan-2-yl] 4-(4-methylsulfanylphenyl)-4-oxidanylidene-butanoate Openeye Name: [(1S)-2-(1-adamantylamino)-1-methyl-2-oxo-ethyl] 4-(4-methylsulfanylphenyl)-4-oxo-butanoate CAS Name: 4-[4-(methylthio)phenyl]-4-oxobutanoic acid [(2S)-1-(1-adamantylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(1-adamantylamino)-1-oxopropan-2-yl] 4-(4-methylsulfanylphenyl)-4-oxobutanoate Traditional Name: 4-keto-4-[4-(methylthio)phenyl]butyric acid [(1S)-2-(1-adamantylamino)-2-keto-1-methyl-ethyl] ester Formula: C24H31NO4S MolecularWeight: 429.57224

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H31NO4S/c1-15(23(28)25-24-12-16-9-17(13-24)11-18(10-16)14-24)29-22(27)8-7-21(26)19-3-5-20(30-2)6-4-19/h3-6,15-18H,7-14H2,1-2H3,(H,25,28)/t15-,16?,17?,18?,24?/m0/s1