2-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-4-phenyl-1,3-thiazol-5-yl]ethanoic acid

Systemtic Name: 2-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-4-phenyl-1,3-thiazol-5-yl]ethanoic acid Openeye Name: 2-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-4-phenyl-thiazol-5-yl]acetic acid CAS Name: 2-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-4-phenyl-5-thiazolyl]acetic acid IUPAC Name: 2-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-4-phenyl-1,3-thiazol-5-yl]acetic acid Traditional Name: 2-[2-(homoveratrylamino)-4-phenyl-thiazol-5-yl]acetic acid Formula: C21H22N2O4S MolecularWeight: 398.47538

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC2=NC(=C(S2)CC(=O)O)C3=CC=CC=C3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC2=NC(=C(S2)CC(=O)O)C3=CC=CC=C3)OC

InChI

InChI=1S/C21H22N2O4S/c1-26-16-9-8-14(12-17(16)27-2)10-11-22-21-23-20(15-6-4-3-5-7-15)18(28-21)13-19(24)25/h3-9,12H,10-11,13H2,1-2H3,(H,22,23)(H,24,25)