1-[2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[2-(3,4-diethoxyphenyl)thiazol-4-yl]pyrrolidine-2-carboxylic acid CAS Name: 1-[2-(3,4-diethoxyphenyl)-4-thiazolyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[2-(3,4-diethoxyphenyl)thiazol-4-yl]proline Formula: C18H22N2O4S MolecularWeight: 362.44328

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C2=NC(=CS2)N3CCCC3C(=O)O)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C2=NC(=CS2)N3CCCC3C(=O)O)OCC

InChI

InChI=1S/C18H22N2O4S/c1-3-23-14-8-7-12(10-15(14)24-4-2)17-19-16(11-25-17)20-9-5-6-13(20)18(21)22/h7-8,10-11,13H,3-6,9H2,1-2H3,(H,21,22)