1-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxidanylidene-N-(2-thiophen-3-ylethyl)pyrrolidine-3-carboxamide

Systemtic Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxidanylidene-N-(2-thiophen-3-ylethyl)pyrrolidine-3-carboxamide Openeye Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxo-N-[2-(3-thienyl)ethyl]pyrrolidine-3-carboxamide CAS Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxo-N-[2-(3-thiophenyl)ethyl]-3-pyrrolidinecarboxamide IUPAC Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxo-N-(2-thiophen-3-ylethyl)pyrrolidine-3-carboxamide Traditional Name: 1-homoveratryl-5-keto-N-[2-(3-thienyl)ethyl]pyrrolidine-3-carboxamide Formula: C21H26N2O4S MolecularWeight: 402.50714

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCN2CC(CC2=O)C(=O)NCCC3=CSC=C3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCN2CC(CC2=O)C(=O)NCCC3=CSC=C3)OC

InChI

InChI=1S/C21H26N2O4S/c1-26-18-4-3-15(11-19(18)27-2)6-9-23-13-17(12-20(23)24)21(25)22-8-5-16-7-10-28-14-16/h3-4,7,10-11,14,17H,5-6,8-9,12-13H2,1-2H3,(H,22,25)