ethyl 4-[2-(3,4-dimethoxyphenyl)sulfanylpropanoyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[2-(3,4-dimethoxyphenyl)sulfanylpropanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-(3,4-dimethoxyphenyl)sulfanylpropanoyl]piperazine-1-carboxylate CAS Name: 4-[2-[(3,4-dimethoxyphenyl)thio]-1-oxopropyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(3,4-dimethoxyphenyl)sulfanylpropanoyl]piperazine-1-carboxylate Traditional Name: 4-[2-[(3,4-dimethoxyphenyl)thio]propanoyl]piperazine-1-carboxylic acid ethyl ester Formula: C18H26N2O5S MolecularWeight: 382.47444

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C(C)SC2=CC(=C(C=C2)OC)OC

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C(C)SC2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C18H26N2O5S/c1-5-25-18(22)20-10-8-19(9-11-20)17(21)13(2)26-14-6-7-15(23-3)16(12-14)24-4/h6-7,12-13H,5,8-11H2,1-4H3