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

Systemtic Name: O1-tert-butyl O2-methyl 4-(4-methylphenyl)sulfanylpyrrolidine-1,2-dicarboxylate Openeye Name: O1-tert-butyl O2-methyl 4-(p-tolylsulfanyl)pyrrolidine-1,2-dicarboxylate CAS Name: 4-[(4-methylphenyl)thio]pyrrolidine-1,2-dicarboxylic acid O1-tert-butyl ester O2-methyl ester IUPAC Name: 1-O-tert-butyl 2-O-methyl 4-(4-methylphenyl)sulfanylpyrrolidine-1,2-dicarboxylate Traditional Name: 4-(p-tolylthio)pyrrolidine-1,2-dicarboxylic acid O1-tert-butyl ester O2-methyl ester Formula: C18H25NO4S MolecularWeight: 351.4604

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2CC(N(C2)C(=O)OC(C)(C)C)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)SC2CC(N(C2)C(=O)OC(C)(C)C)C(=O)OC

InChI

InChI=1S/C18H25NO4S/c1-12-6-8-13(9-7-12)24-14-10-15(16(20)22-5)19(11-14)17(21)23-18(2,3)4/h6-9,14-15H,10-11H2,1-5H3