4-(7-methoxy-7-oxidanylidene-heptyl)-1,3-thiazole-5-carboxylic acid

Systemtic Name: 4-(7-methoxy-7-oxidanylidene-heptyl)-1,3-thiazole-5-carboxylic acid Openeye Name: 4-(7-methoxy-7-oxo-heptyl)thiazole-5-carboxylic acid CAS Name: 4-(7-methoxy-7-oxoheptyl)-5-thiazolecarboxylic acid IUPAC Name: 4-(7-methoxy-7-oxoheptyl)-1,3-thiazole-5-carboxylic acid Traditional Name: 4-(7-keto-7-methoxy-heptyl)thiazole-5-carboxylic acid Formula: C12H17NO4S MolecularWeight: 271.33268

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCCC1=C(SC=N1)C(=O)O

Isomeric SMILES

COC(=O)CCCCCCC1=C(SC=N1)C(=O)O

InChI

InChI=1S/C12H17NO4S/c1-17-10(14)7-5-3-2-4-6-9-11(12(15)16)18-8-13-9/h8H,2-7H2,1H3,(H,15,16)