(phenylmethyl) (2S)-1-(1-adamantylcarbamothioyl)pyrrolidine-2-carboxylate

Systemtic Name: (phenylmethyl) (2S)-1-(1-adamantylcarbamothioyl)pyrrolidine-2-carboxylate Openeye Name: benzyl (2S)-1-(1-adamantylcarbamothioyl)pyrrolidine-2-carboxylate CAS Name: (2S)-1-[(1-adamantylamino)-sulfanylidenemethyl]-2-pyrrolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-1-(1-adamantylcarbamothioyl)pyrrolidine-2-carboxylate Traditional Name: (2S)-1-(1-adamantylthiocarbamoyl)pyrrolidine-2-carboxylic acid benzyl ester Formula: C23H30N2O2S MolecularWeight: 398.5615

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=S)NC23CC4CC(C2)CC(C4)C3)C(=O)OCC5=CC=CC=C5

Isomeric SMILES

C1C[C@H](N(C1)C(=S)NC23CC4CC(C2)CC(C4)C3)C(=O)OCC5=CC=CC=C5

InChI

InChI=1S/C23H30N2O2S/c26-21(27-15-16-5-2-1-3-6-16)20-7-4-8-25(20)22(28)24-23-12-17-9-18(13-23)11-19(10-17)14-23/h1-3,5-6,17-20H,4,7-15H2,(H,24,28)/t17?,18?,19?,20-,23?/m0/s1