O1-tert-butyl O2-methyl 4-(4-chlorophenyl)sulfanylpyrrolidine-1,2-dicarboxylate

Systemtic Name: O1-tert-butyl O2-methyl 4-(4-chlorophenyl)sulfanylpyrrolidine-1,2-dicarboxylate Openeye Name: O1-tert-butyl O2-methyl 4-(4-chlorophenyl)sulfanylpyrrolidine-1,2-dicarboxylate CAS Name: 4-[(4-chlorophenyl)thio]pyrrolidine-1,2-dicarboxylic acid O1-tert-butyl ester O2-methyl ester IUPAC Name: 1-O-tert-butyl 2-O-methyl 4-(4-chlorophenyl)sulfanylpyrrolidine-1,2-dicarboxylate Traditional Name: 4-[(4-chlorophenyl)thio]pyrrolidine-1,2-dicarboxylic acid O1-tert-butyl ester O2-methyl ester Formula: C17H22ClNO4S MolecularWeight: 371.87888

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC(CC1C(=O)OC)SC2=CC=C(C=C2)Cl

Isomeric SMILES

CC(C)(C)OC(=O)N1CC(CC1C(=O)OC)SC2=CC=C(C=C2)Cl

InChI

InChI=1S/C17H22ClNO4S/c1-17(2,3)23-16(21)19-10-13(9-14(19)15(20)22-4)24-12-7-5-11(18)6-8-12/h5-8,13-14H,9-10H2,1-4H3