3,3-dimethyl-5-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 3,3-dimethyl-5-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: 3,3-dimethyl-5-[4-(2-methylthiazol-4-yl)anilino]-5-oxo-pentanoic acid CAS Name: 3,3-dimethyl-5-[4-(2-methyl-4-thiazolyl)anilino]-5-oxopentanoic acid IUPAC Name: 3,3-dimethyl-5-[4-(2-methyl-1,3-thiazol-4-yl)anilino]-5-oxopentanoic acid Traditional Name: 5-keto-3,3-dimethyl-5-[4-(2-methylthiazol-4-yl)anilino]valeric acid Formula: C17H20N2O3S MolecularWeight: 332.4173

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CS1)C2=CC=C(C=C2)NC(=O)CC(C)(C)CC(=O)O

Isomeric SMILES

CC1=NC(=CS1)C2=CC=C(C=C2)NC(=O)CC(C)(C)CC(=O)O

InChI

InChI=1S/C17H20N2O3S/c1-11-18-14(10-23-11)12-4-6-13(7-5-12)19-15(20)8-17(2,3)9-16(21)22/h4-7,10H,8-9H2,1-3H3,(H,19,20)(H,21,22)