methyl 1-[2-(3,4-dimethoxyphenyl)sulfanylpropanoyl]piperidine-4-carboxylate

Systemtic Name: methyl 1-[2-(3,4-dimethoxyphenyl)sulfanylpropanoyl]piperidine-4-carboxylate Openeye Name: methyl 1-[2-(3,4-dimethoxyphenyl)sulfanylpropanoyl]piperidine-4-carboxylate CAS Name: 1-[2-[(3,4-dimethoxyphenyl)thio]-1-oxopropyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-(3,4-dimethoxyphenyl)sulfanylpropanoyl]piperidine-4-carboxylate Traditional Name: 1-[2-[(3,4-dimethoxyphenyl)thio]propanoyl]isonipecotic acid methyl ester Formula: C18H25NO5S MolecularWeight: 367.4598

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCC(CC1)C(=O)OC)SC2=CC(=C(C=C2)OC)OC

Isomeric SMILES

CC(C(=O)N1CCC(CC1)C(=O)OC)SC2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C18H25NO5S/c1-12(25-14-5-6-15(22-2)16(11-14)23-3)17(20)19-9-7-13(8-10-19)18(21)24-4/h5-6,11-13H,7-10H2,1-4H3