3-[2-[(3-methylphenyl)amino]-4-pyridin-4-yl-1,3-thiazol-5-yl]propanoic acid

Systemtic Name: 3-[2-[(3-methylphenyl)amino]-4-pyridin-4-yl-1,3-thiazol-5-yl]propanoic acid Openeye Name: 3-[2-(3-methylanilino)-4-(4-pyridyl)thiazol-5-yl]propanoic acid CAS Name: 3-[2-(3-methylanilino)-4-pyridin-4-yl-5-thiazolyl]propanoic acid IUPAC Name: 3-[2-(3-methylanilino)-4-pyridin-4-yl-1,3-thiazol-5-yl]propanoic acid Traditional Name: 3-[2-(m-toluidino)-4-(4-pyridyl)thiazol-5-yl]propionic acid Formula: C18H17N3O2S MolecularWeight: 339.41148

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17N3O2S/c1-12-3-2-4-14(11-12)20-18-21-17(13-7-9-19-10-8-13)15(24-18)5-6-16(22)23/h2-4,7-11H,5-6H2,1H3,(H,20,21)(H,22,23)