sodium 2,2-dimethyl-5-[4-(2-methyl-1,3-thiazol-4-yl)phenoxy]pentanoate

Systemtic Name: sodium 2,2-dimethyl-5-[4-(2-methyl-1,3-thiazol-4-yl)phenoxy]pentanoate Openeye Name: sodium 2,2-dimethyl-5-[4-(2-methylthiazol-4-yl)phenoxy]pentanoate CAS Name: sodium 2,2-dimethyl-5-[4-(2-methyl-4-thiazolyl)phenoxy]pentanoate IUPAC Name: sodium 2,2-dimethyl-5-[4-(2-methyl-1,3-thiazol-4-yl)phenoxy]pentanoate Traditional Name: sodium 2,2-dimethyl-5-[4-(2-methylthiazol-4-yl)phenoxy]valerate Formula: C17H20NNaO3S MolecularWeight: 341.40037

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CS1)C2=CC=C(C=C2)OCCCC(C)(C)C(=O)[O-].[Na+]

Isomeric SMILES

CC1=NC(=CS1)C2=CC=C(C=C2)OCCCC(C)(C)C(=O)[O-].[Na+]

InChI

InChI=1S/C17H21NO3S.Na/c1-12-18-15(11-22-12)13-5-7-14(8-6-13)21-10-4-9-17(2,3)16(19)20;/h5-8,11H,4,9-10H2,1-3H3,(H,19,20);/q;+1/p-1