tert-butyl 3-methyl-4-[[octoxy(phenyl)phosphinothioyl]methyl]pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl 3-methyl-4-[[octoxy(phenyl)phosphinothioyl]methyl]pyrrolidine-1-carboxylate Openeye Name: tert-butyl 3-methyl-4-[[octoxy(phenyl)phosphinothioyl]methyl]pyrrolidine-1-carboxylate CAS Name: 3-methyl-4-[[octoxy(phenyl)phosphinothioyl]methyl]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-methyl-4-[[octoxy(phenyl)phosphinothioyl]methyl]pyrrolidine-1-carboxylate Traditional Name: 3-methyl-4-[[octoxy(phenyl)thiophosphoryl]methyl]pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C25H42NO3PS MolecularWeight: 467.644641

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOP(=S)(CC1CN(CC1C)C(=O)OC(C)(C)C)C2=CC=CC=C2

Isomeric SMILES

CCCCCCCCOP(=S)(CC1CN(CC1C)C(=O)OC(C)(C)C)C2=CC=CC=C2

InChI

InChI=1S/C25H42NO3PS/c1-6-7-8-9-10-14-17-28-30(31,23-15-12-11-13-16-23)20-22-19-26(18-21(22)2)24(27)29-25(3,4)5/h11-13,15-16,21-22H,6-10,14,17-20H2,1-5H3