4-azanyl-3-(4-ethylphenyl)-1,2-thiazole-5-carboxylic acid

Systemtic Name: 4-azanyl-3-(4-ethylphenyl)-1,2-thiazole-5-carboxylic acid Openeye Name: 4-amino-3-(4-ethylphenyl)isothiazole-5-carboxylic acid CAS Name: 4-amino-3-(4-ethylphenyl)-5-isothiazolecarboxylic acid IUPAC Name: 4-amino-3-(4-ethylphenyl)-1,2-thiazole-5-carboxylic acid Traditional Name: 4-amino-3-(4-ethylphenyl)isothiazole-5-carboxylic acid Formula: C12H12N2O2S MolecularWeight: 248.30088

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NSC(=C2N)C(=O)O

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NSC(=C2N)C(=O)O

InChI

InChI=1S/C12H12N2O2S/c1-2-7-3-5-8(6-4-7)10-9(13)11(12(15)16)17-14-10/h3-6H,2,13H2,1H3,(H,15,16)