4-[[2,7-bis(oxidanylidene)azepan-1-yl]methyl]-1,3-thiazole-2-carboxylic acid

Systemtic Name: 4-[[2,7-bis(oxidanylidene)azepan-1-yl]methyl]-1,3-thiazole-2-carboxylic acid Openeye Name: 4-[(2,7-dioxoazepan-1-yl)methyl]thiazole-2-carboxylic acid CAS Name: 4-[(2,7-dioxo-1-azepanyl)methyl]-2-thiazolecarboxylic acid IUPAC Name: 4-[(2,7-dioxoazepan-1-yl)methyl]-1,3-thiazole-2-carboxylic acid Traditional Name: 4-[(2,7-diketoazepan-1-yl)methyl]thiazole-2-carboxylic acid Formula: C11H12N2O4S MolecularWeight: 268.28898

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)N(C(=O)C1)CC2=CSC(=N2)C(=O)O

Isomeric SMILES

C1CCC(=O)N(C(=O)C1)CC2=CSC(=N2)C(=O)O

InChI

InChI=1S/C11H12N2O4S/c14-8-3-1-2-4-9(15)13(8)5-7-6-18-10(12-7)11(16)17/h6H,1-5H2,(H,16,17)