4-[[4-(3-oxidanylidenebutyl)phenoxy]methyl]-1,3-thiazole-2-carboxylic acid

Systemtic Name: 4-[[4-(3-oxidanylidenebutyl)phenoxy]methyl]-1,3-thiazole-2-carboxylic acid Openeye Name: 4-[[4-(3-oxobutyl)phenoxy]methyl]thiazole-2-carboxylic acid CAS Name: 4-[[4-(3-oxobutyl)phenoxy]methyl]-2-thiazolecarboxylic acid IUPAC Name: 4-[[4-(3-oxobutyl)phenoxy]methyl]-1,3-thiazole-2-carboxylic acid Traditional Name: 4-[[4-(3-ketobutyl)phenoxy]methyl]thiazole-2-carboxylic acid Formula: C15H15NO4S MolecularWeight: 305.3489

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCC1=CC=C(C=C1)OCC2=CSC(=N2)C(=O)O

Isomeric SMILES

CC(=O)CCC1=CC=C(C=C1)OCC2=CSC(=N2)C(=O)O

InChI

InChI=1S/C15H15NO4S/c1-10(17)2-3-11-4-6-13(7-5-11)20-8-12-9-21-14(16-12)15(18)19/h4-7,9H,2-3,8H2,1H3,(H,18,19)