2-[2-[(3-methylphenyl)amino]-4-(4-propan-2-ylphenyl)-1,3-thiazol-5-yl]ethanoic acid

Systemtic Name: 2-[2-[(3-methylphenyl)amino]-4-(4-propan-2-ylphenyl)-1,3-thiazol-5-yl]ethanoic acid Openeye Name: 2-[4-(4-isopropylphenyl)-2-(3-methylanilino)thiazol-5-yl]acetic acid CAS Name: 2-[2-(3-methylanilino)-4-(4-propan-2-ylphenyl)-5-thiazolyl]acetic acid IUPAC Name: 2-[2-(3-methylanilino)-4-(4-propan-2-ylphenyl)-1,3-thiazol-5-yl]acetic acid Traditional Name: 2-[2-(m-toluidino)-4-p-cumenyl-thiazol-5-yl]acetic acid Formula: C21H22N2O2S MolecularWeight: 366.47658

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC2=NC(=C(S2)CC(=O)O)C3=CC=C(C=C3)C(C)C

Isomeric SMILES

CC1=CC(=CC=C1)NC2=NC(=C(S2)CC(=O)O)C3=CC=C(C=C3)C(C)C

InChI

InChI=1S/C21H22N2O2S/c1-13(2)15-7-9-16(10-8-15)20-18(12-19(24)25)26-21(23-20)22-17-6-4-5-14(3)11-17/h4-11,13H,12H2,1-3H3,(H,22,23)(H,24,25)