2-[2-(butanoylamino)-4-(3,4-dimethylphenyl)-1,3-thiazol-5-yl]ethanoic acid

Systemtic Name: 2-[2-(butanoylamino)-4-(3,4-dimethylphenyl)-1,3-thiazol-5-yl]ethanoic acid Openeye Name: 2-[2-(butanoylamino)-4-(3,4-dimethylphenyl)thiazol-5-yl]acetic acid CAS Name: 2-[4-(3,4-dimethylphenyl)-2-(1-oxobutylamino)-5-thiazolyl]acetic acid IUPAC Name: 2-[2-(butanoylamino)-4-(3,4-dimethylphenyl)-1,3-thiazol-5-yl]acetic acid Traditional Name: 2-[2-butyramido-4-(3,4-dimethylphenyl)thiazol-5-yl]acetic acid Formula: C17H20N2O3S MolecularWeight: 332.4173

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=NC(=C(S1)CC(=O)O)C2=CC(=C(C=C2)C)C

Isomeric SMILES

CCCC(=O)NC1=NC(=C(S1)CC(=O)O)C2=CC(=C(C=C2)C)C

InChI

InChI=1S/C17H20N2O3S/c1-4-5-14(20)18-17-19-16(13(23-17)9-15(21)22)12-7-6-10(2)11(3)8-12/h6-8H,4-5,9H2,1-3H3,(H,21,22)(H,18,19,20)