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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC1=CC=C(C=C1)C2=NC(=CS2)CC(=O)O

Isomeric SMILES

CC(C)CC(=O)NC1=CC=C(C=C1)C2=NC(=CS2)CC(=O)O

InChI

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