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

Systemtic Name: 3,3-dimethyl-5-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]amino]-5-oxidanylidene-pentanoate Openeye Name: 3,3-dimethyl-5-[4-(2-methylthiazol-4-yl)anilino]-5-oxo-pentanoate CAS Name: 3,3-dimethyl-5-[4-(2-methyl-4-thiazolyl)anilino]-5-oxopentanoate IUPAC Name: 3,3-dimethyl-5-[4-(2-methyl-1,3-thiazol-4-yl)anilino]-5-oxopentanoate Traditional Name: 5-keto-3,3-dimethyl-5-[4-(2-methylthiazol-4-yl)anilino]valerate Formula: C17H19N2O3S- MolecularWeight: 331.40936

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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)/p-1