[2-(4-methylsulfanylphenyl)-2-oxidanylidene-ethyl] 1-(1-adamantylcarbonyl)pyrrolidine-2-carboxylate

Systemtic Name: [2-(4-methylsulfanylphenyl)-2-oxidanylidene-ethyl] 1-(1-adamantylcarbonyl)pyrrolidine-2-carboxylate Openeye Name: [2-(4-methylsulfanylphenyl)-2-oxo-ethyl] 1-(adamantane-1-carbonyl)pyrrolidine-2-carboxylate CAS Name: 1-[1-adamantyl(oxo)methyl]-2-pyrrolidinecarboxylic acid [2-[4-(methylthio)phenyl]-2-oxoethyl] ester IUPAC Name: [2-(4-methylsulfanylphenyl)-2-oxoethyl] 1-(adamantane-1-carbonyl)pyrrolidine-2-carboxylate Traditional Name: 1-(adamantane-1-carbonyl)pyrrolidine-2-carboxylic acid [2-keto-2-[4-(methylthio)phenyl]ethyl] ester Formula: C25H31NO4S MolecularWeight: 441.58294

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C(=O)COC(=O)C2CCCN2C(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CSC1=CC=C(C=C1)C(=O)COC(=O)C2CCCN2C(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C25H31NO4S/c1-31-20-6-4-19(5-7-20)22(27)15-30-23(28)21-3-2-8-26(21)24(29)25-12-16-9-17(13-25)11-18(10-16)14-25/h4-7,16-18,21H,2-3,8-15H2,1H3