1-(3,4-dimethoxyphenyl)carbonyl-4-ethoxycarbonyl-5-thiophen-2-yl-pyrrolidine-2-carboxylic acid

Systemtic Name: 1-(3,4-dimethoxyphenyl)carbonyl-4-ethoxycarbonyl-5-thiophen-2-yl-pyrrolidine-2-carboxylic acid Openeye Name: 1-(3,4-dimethoxybenzoyl)-4-ethoxycarbonyl-5-(2-thienyl)pyrrolidine-2-carboxylic acid CAS Name: 1-[(3,4-dimethoxyphenyl)-oxomethyl]-4-ethoxycarbonyl-5-thiophen-2-yl-2-pyrrolidinecarboxylic acid IUPAC Name: 1-(3,4-dimethoxybenzoyl)-4-ethoxycarbonyl-5-thiophen-2-ylpyrrolidine-2-carboxylic acid Traditional Name: 4-carbethoxy-5-(2-thienyl)-1-veratroyl-proline Formula: C21H23NO7S MolecularWeight: 433.47482

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC(N(C1C2=CC=CS2)C(=O)C3=CC(=C(C=C3)OC)OC)C(=O)O

Isomeric SMILES

CCOC(=O)C1CC(N(C1C2=CC=CS2)C(=O)C3=CC(=C(C=C3)OC)OC)C(=O)O

InChI

InChI=1S/C21H23NO7S/c1-4-29-21(26)13-11-14(20(24)25)22(18(13)17-6-5-9-30-17)19(23)12-7-8-15(27-2)16(10-12)28-3/h5-10,13-14,18H,4,11H2,1-3H3,(H,24,25)