O1-tert-butyl O5-methyl 4-[(4-methylphenyl)methylsulfanyl]-2,3-dihydropyrrole-1,5-dicarboxylate

Systemtic Name: O1-tert-butyl O5-methyl 4-[(4-methylphenyl)methylsulfanyl]-2,3-dihydropyrrole-1,5-dicarboxylate Openeye Name: O1-tert-butyl O5-methyl 4-(p-tolylmethylsulfanyl)-2,3-dihydropyrrole-1,5-dicarboxylate CAS Name: 4-[(4-methylphenyl)methylthio]-2,3-dihydropyrrole-1,5-dicarboxylic acid O1-tert-butyl ester O5-methyl ester IUPAC Name: 1-O-tert-butyl 5-O-methyl 4-[(4-methylphenyl)methylsulfanyl]-2,3-dihydropyrrole-1,5-dicarboxylate Traditional Name: 3-[(4-methylbenzyl)thio]-2-pyrroline-1,2-dicarboxylic acid O1-tert-butyl ester O2-methyl ester Formula: C19H25NO4S MolecularWeight: 363.4711

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSC2=C(N(CC2)C(=O)OC(C)(C)C)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)CSC2=C(N(CC2)C(=O)OC(C)(C)C)C(=O)OC

InChI

InChI=1S/C19H25NO4S/c1-13-6-8-14(9-7-13)12-25-15-10-11-20(16(15)17(21)23-5)18(22)24-19(2,3)4/h6-9H,10-12H2,1-5H3