(2,6-dimethoxy-4-methyl-phenyl) 4-methylsulfanyl-2-pyrrolidin-1-yl-butanoate

Systemtic Name: (2,6-dimethoxy-4-methyl-phenyl) 4-methylsulfanyl-2-pyrrolidin-1-yl-butanoate Openeye Name: (2,6-dimethoxy-4-methyl-phenyl) 4-methylsulfanyl-2-pyrrolidin-1-yl-butanoate CAS Name: 4-(methylthio)-2-(1-pyrrolidinyl)butanoic acid (2,6-dimethoxy-4-methylphenyl) ester IUPAC Name: (2,6-dimethoxy-4-methylphenyl) 4-methylsulfanyl-2-pyrrolidin-1-ylbutanoate Traditional Name: 4-(methylthio)-2-pyrrolidino-butyric acid (2,6-dimethoxy-4-methyl-phenyl) ester Formula: C18H27NO4S MolecularWeight: 353.47628

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)OC)OC(=O)C(CCSC)N2CCCC2)OC

Isomeric SMILES

CC1=CC(=C(C(=C1)OC)OC(=O)C(CCSC)N2CCCC2)OC

InChI

InChI=1S/C18H27NO4S/c1-13-11-15(21-2)17(16(12-13)22-3)23-18(20)14(7-10-24-4)19-8-5-6-9-19/h11-12,14H,5-10H2,1-4H3