6-[2-[(3-methylphenyl)amino]-4-oxidanylidene-1,3-thiazol-5-yl]hexanoic acid

Systemtic Name: 6-[2-[(3-methylphenyl)amino]-4-oxidanylidene-1,3-thiazol-5-yl]hexanoic acid Openeye Name: 6-[2-(3-methylanilino)-4-oxo-thiazol-5-yl]hexanoic acid CAS Name: 6-[2-(3-methylanilino)-4-oxo-5-thiazolyl]hexanoic acid IUPAC Name: 6-[2-(3-methylanilino)-4-oxo-1,3-thiazol-5-yl]hexanoic acid Traditional Name: 6-[4-keto-2-(m-toluidino)-2-thiazolin-5-yl]hexanoic acid Formula: C16H20N2O3S MolecularWeight: 320.4066

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC2=NC(=O)C(S2)CCCCCC(=O)O

Isomeric SMILES

CC1=CC(=CC=C1)NC2=NC(=O)C(S2)CCCCCC(=O)O

InChI

InChI=1S/C16H20N2O3S/c1-11-6-5-7-12(10-11)17-16-18-15(21)13(22-16)8-3-2-4-9-14(19)20/h5-7,10,13H,2-4,8-9H2,1H3,(H,19,20)(H,17,18,21)