(4-methylsulfanylphenyl)methyl 1-(1-adamantylcarbonyl)pyrrolidine-2-carboxylate

Systemtic Name: (4-methylsulfanylphenyl)methyl 1-(1-adamantylcarbonyl)pyrrolidine-2-carboxylate Openeye Name: (4-methylsulfanylphenyl)methyl 1-(adamantane-1-carbonyl)pyrrolidine-2-carboxylate CAS Name: 1-[1-adamantyl(oxo)methyl]-2-pyrrolidinecarboxylic acid [4-(methylthio)phenyl]methyl ester IUPAC Name: (4-methylsulfanylphenyl)methyl 1-(adamantane-1-carbonyl)pyrrolidine-2-carboxylate Traditional Name: 1-(adamantane-1-carbonyl)pyrrolidine-2-carboxylic acid [4-(methylthio)benzyl] ester Formula: C24H31NO3S MolecularWeight: 413.57284

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H31NO3S/c1-29-20-6-4-16(5-7-20)15-28-22(26)21-3-2-8-25(21)23(27)24-12-17-9-18(13-24)11-19(10-17)14-24/h4-7,17-19,21H,2-3,8-15H2,1H3