2-[4-methyl-2-[phenyl(prop-2-enyl)amino]-1,3-thiazol-5-yl]propanoic acid

Systemtic Name: 2-[4-methyl-2-[phenyl(prop-2-enyl)amino]-1,3-thiazol-5-yl]propanoic acid Openeye Name: 2-[2-(N-allylanilino)-4-methyl-thiazol-5-yl]propanoic acid CAS Name: 2-[4-methyl-2-(N-prop-2-enylanilino)-5-thiazolyl]propanoic acid IUPAC Name: 2-[4-methyl-2-(N-prop-2-enylanilino)-1,3-thiazol-5-yl]propanoic acid Traditional Name: 2-[2-(N-allylanilino)-4-methyl-thiazol-5-yl]propionic acid Formula: C16H18N2O2S MolecularWeight: 302.39132

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)N(CC=C)C2=CC=CC=C2)C(C)C(=O)O

Isomeric SMILES

CC1=C(SC(=N1)N(CC=C)C2=CC=CC=C2)C(C)C(=O)O

InChI

InChI=1S/C16H18N2O2S/c1-4-10-18(13-8-6-5-7-9-13)16-17-12(3)14(21-16)11(2)15(19)20/h4-9,11H,1,10H2,2-3H3,(H,19,20)