2-[(4-ethylphenyl)methylamino]-4-methyl-1,3-thiazole-5-carboxylic acid

Systemtic Name: 2-[(4-ethylphenyl)methylamino]-4-methyl-1,3-thiazole-5-carboxylic acid Openeye Name: 2-[(4-ethylphenyl)methylamino]-4-methyl-thiazole-5-carboxylic acid CAS Name: 2-[(4-ethylphenyl)methylamino]-4-methyl-5-thiazolecarboxylic acid IUPAC Name: 2-[(4-ethylphenyl)methylamino]-4-methyl-1,3-thiazole-5-carboxylic acid Traditional Name: 2-[(4-ethylbenzyl)amino]-4-methyl-thiazole-5-carboxylic acid Formula: C14H16N2O2S MolecularWeight: 276.35404

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)CNC2=NC(=C(S2)C(=O)O)C

Isomeric SMILES

CCC1=CC=C(C=C1)CNC2=NC(=C(S2)C(=O)O)C

InChI

InChI=1S/C14H16N2O2S/c1-3-10-4-6-11(7-5-10)8-15-14-16-9(2)12(19-14)13(17)18/h4-7H,3,8H2,1-2H3,(H,15,16)(H,17,18)