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

Systemtic Name: 4-[(2-oxidanylideneazepan-1-yl)methyl]-1,3-thiazole-2-carboxylic acid Openeye Name: 4-[(2-oxoazepan-1-yl)methyl]thiazole-2-carboxylic acid CAS Name: 4-[(2-oxo-1-azepanyl)methyl]-2-thiazolecarboxylic acid IUPAC Name: 4-[(2-oxoazepan-1-yl)methyl]-1,3-thiazole-2-carboxylic acid Traditional Name: 4-[(2-ketoazepan-1-yl)methyl]thiazole-2-carboxylic acid Formula: C11H14N2O3S MolecularWeight: 254.30546

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)N(CC1)CC2=CSC(=N2)C(=O)O

Isomeric SMILES

C1CCC(=O)N(CC1)CC2=CSC(=N2)C(=O)O

InChI

InChI=1S/C11H14N2O3S/c14-9-4-2-1-3-5-13(9)6-8-7-17-10(12-8)11(15)16/h7H,1-6H2,(H,15,16)