2-[2-(3-methylbutanoylamino)-4-phenyl-1,3-thiazol-5-yl]ethanoic acid

Systemtic Name: 2-[2-(3-methylbutanoylamino)-4-phenyl-1,3-thiazol-5-yl]ethanoic acid Openeye Name: 2-[2-(3-methylbutanoylamino)-4-phenyl-thiazol-5-yl]acetic acid CAS Name: 2-[2-[(3-methyl-1-oxobutyl)amino]-4-phenyl-5-thiazolyl]acetic acid IUPAC Name: 2-[2-(3-methylbutanoylamino)-4-phenyl-1,3-thiazol-5-yl]acetic acid Traditional Name: 2-[2-(isovalerylamino)-4-phenyl-thiazol-5-yl]acetic acid Formula: C16H18N2O3S MolecularWeight: 318.39072

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18N2O3S/c1-10(2)8-13(19)17-16-18-15(11-6-4-3-5-7-11)12(22-16)9-14(20)21/h3-7,10H,8-9H2,1-2H3,(H,20,21)(H,17,18,19)