tert-butyl (3R,4S)-3-(diphenylphosphinothioylmethyl)-4-methyl-pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl (3R,4S)-3-(diphenylphosphinothioylmethyl)-4-methyl-pyrrolidine-1-carboxylate Openeye Name: tert-butyl (3R,4S)-3-(diphenylphosphinothioylmethyl)-4-methyl-pyrrolidine-1-carboxylate CAS Name: (3R,4S)-3-(diphenylphosphinothioylmethyl)-4-methyl-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (3R,4S)-3-(diphenylphosphinothioylmethyl)-4-methylpyrrolidine-1-carboxylate Traditional Name: (3R,4S)-3-(diphenylthiophosphorylmethyl)-4-methyl-pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C23H30NO2PS MolecularWeight: 415.528561

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC1CP(=S)(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)OC(C)(C)C

Isomeric SMILES

C[C@@H]1CN(C[C@@H]1CP(=S)(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)OC(C)(C)C

InChI

InChI=1S/C23H30NO2PS/c1-18-15-24(22(25)26-23(2,3)4)16-19(18)17-27(28,20-11-7-5-8-12-20)21-13-9-6-10-14-21/h5-14,18-19H,15-17H2,1-4H3/t18-,19-/m1/s1