4-methyl-2-[4-(3-methylbutanoylamino)phenyl]-1,3-thiazole-5-carboxylic acid

Systemtic Name: 4-methyl-2-[4-(3-methylbutanoylamino)phenyl]-1,3-thiazole-5-carboxylic acid Openeye Name: 4-methyl-2-[4-(3-methylbutanoylamino)phenyl]thiazole-5-carboxylic acid CAS Name: 4-methyl-2-[4-[(3-methyl-1-oxobutyl)amino]phenyl]-5-thiazolecarboxylic acid IUPAC Name: 4-methyl-2-[4-(3-methylbutanoylamino)phenyl]-1,3-thiazole-5-carboxylic acid Traditional Name: 2-[4-(isovalerylamino)phenyl]-4-methyl-thiazole-5-carboxylic acid Formula: C16H18N2O3S MolecularWeight: 318.39072

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)C2=CC=C(C=C2)NC(=O)CC(C)C)C(=O)O

Isomeric SMILES

CC1=C(SC(=N1)C2=CC=C(C=C2)NC(=O)CC(C)C)C(=O)O

InChI

InChI=1S/C16H18N2O3S/c1-9(2)8-13(19)18-12-6-4-11(5-7-12)15-17-10(3)14(22-15)16(20)21/h4-7,9H,8H2,1-3H3,(H,18,19)(H,20,21)