(2,6-dimethoxyphenyl) 2-(azepan-1-yl)-4-methylsulfanyl-butanoate

Systemtic Name: (2,6-dimethoxyphenyl) 2-(azepan-1-yl)-4-methylsulfanyl-butanoate Openeye Name: (2,6-dimethoxyphenyl) 2-(azepan-1-yl)-4-methylsulfanyl-butanoate CAS Name: 2-(1-azepanyl)-4-(methylthio)butanoic acid (2,6-dimethoxyphenyl) ester IUPAC Name: (2,6-dimethoxyphenyl) 2-(azepan-1-yl)-4-methylsulfanylbutanoate Traditional Name: 2-(azepan-1-yl)-4-(methylthio)butyric acid (2,6-dimethoxyphenyl) ester Formula: C19H29NO4S MolecularWeight: 367.50286

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC=C1)OC)OC(=O)C(CCSC)N2CCCCCC2

Isomeric SMILES

COC1=C(C(=CC=C1)OC)OC(=O)C(CCSC)N2CCCCCC2

InChI

InChI=1S/C19H29NO4S/c1-22-16-9-8-10-17(23-2)18(16)24-19(21)15(11-14-25-3)20-12-6-4-5-7-13-20/h8-10,15H,4-7,11-14H2,1-3H3