3-(2-cyanoethyl)-5-[2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl]-2-methoxy-benzoic acid

Systemtic Name: 3-(2-cyanoethyl)-5-[2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl]-2-methoxy-benzoic acid Openeye Name: 3-(2-cyanoethyl)-5-[2-(3,4-diethoxyphenyl)thiazol-4-yl]-2-methoxy-benzoic acid CAS Name: 3-(2-cyanoethyl)-5-[2-(3,4-diethoxyphenyl)-4-thiazolyl]-2-methoxybenzoic acid IUPAC Name: 3-(2-cyanoethyl)-5-[2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl]-2-methoxybenzoic acid Traditional Name: 3-(2-cyanoethyl)-5-[2-(3,4-diethoxyphenyl)thiazol-4-yl]-2-methoxy-benzoic acid Formula: C24H24N2O5S MolecularWeight: 452.52276

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C2=NC(=CS2)C3=CC(=C(C(=C3)CCC#N)OC)C(=O)O)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C2=NC(=CS2)C3=CC(=C(C(=C3)CCC#N)OC)C(=O)O)OCC

InChI

InChI=1S/C24H24N2O5S/c1-4-30-20-9-8-16(13-21(20)31-5-2)23-26-19(14-32-23)17-11-15(7-6-10-25)22(29-3)18(12-17)24(27)28/h8-9,11-14H,4-7H2,1-3H3,(H,27,28)