4-[(2-oxidanylideneazocan-1-yl)methyl]-1,3-thiazole-2-carboxylic acid

Systemtic Name: 4-[(2-oxidanylideneazocan-1-yl)methyl]-1,3-thiazole-2-carboxylic acid Openeye Name: 4-[(2-oxoazocan-1-yl)methyl]thiazole-2-carboxylic acid CAS Name: 4-[(2-oxo-1-azocanyl)methyl]-2-thiazolecarboxylic acid IUPAC Name: 4-[(2-oxoazocan-1-yl)methyl]-1,3-thiazole-2-carboxylic acid Traditional Name: 4-[(2-ketoazocan-1-yl)methyl]thiazole-2-carboxylic acid Formula: C12H16N2O3S MolecularWeight: 268.33204

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(C(=O)CC1)CC2=CSC(=N2)C(=O)O

Isomeric SMILES

C1CCCN(C(=O)CC1)CC2=CSC(=N2)C(=O)O

InChI

InChI=1S/C12H16N2O3S/c15-10-5-3-1-2-4-6-14(10)7-9-8-18-11(13-9)12(16)17/h8H,1-7H2,(H,16,17)