2-[4-(4-ethylphenyl)-2-[(4-methoxycarbonylphenyl)amino]-1,3-thiazol-5-yl]ethanoic acid

Systemtic Name: 2-[4-(4-ethylphenyl)-2-[(4-methoxycarbonylphenyl)amino]-1,3-thiazol-5-yl]ethanoic acid Openeye Name: 2-[4-(4-ethylphenyl)-2-(4-methoxycarbonylanilino)thiazol-5-yl]acetic acid CAS Name: 2-[4-(4-ethylphenyl)-2-(4-methoxycarbonylanilino)-5-thiazolyl]acetic acid IUPAC Name: 2-[4-(4-ethylphenyl)-2-(4-methoxycarbonylanilino)-1,3-thiazol-5-yl]acetic acid Traditional Name: 2-[2-(4-carbomethoxyanilino)-4-(4-ethylphenyl)thiazol-5-yl]acetic acid Formula: C21H20N2O4S MolecularWeight: 396.4595

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=C(SC(=N2)NC3=CC=C(C=C3)C(=O)OC)CC(=O)O

Isomeric SMILES

CCC1=CC=C(C=C1)C2=C(SC(=N2)NC3=CC=C(C=C3)C(=O)OC)CC(=O)O

InChI

InChI=1S/C21H20N2O4S/c1-3-13-4-6-14(7-5-13)19-17(12-18(24)25)28-21(23-19)22-16-10-8-15(9-11-16)20(26)27-2/h4-11H,3,12H2,1-2H3,(H,22,23)(H,24,25)