2-[2,7-bis(oxidanylidene)azepan-1-yl]-4,5-dimethyl-thiophene-3-carboxylic acid

Systemtic Name: 2-[2,7-bis(oxidanylidene)azepan-1-yl]-4,5-dimethyl-thiophene-3-carboxylic acid Openeye Name: 2-(2,7-dioxoazepan-1-yl)-4,5-dimethyl-thiophene-3-carboxylic acid CAS Name: 2-(2,7-dioxo-1-azepanyl)-4,5-dimethyl-3-thiophenecarboxylic acid IUPAC Name: 2-(2,7-dioxoazepan-1-yl)-4,5-dimethylthiophene-3-carboxylic acid Traditional Name: 2-(2,7-diketoazepan-1-yl)-4,5-dimethyl-3-thenoic acid Formula: C13H15NO4S MolecularWeight: 281.3275

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)O)N2C(=O)CCCCC2=O)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)O)N2C(=O)CCCCC2=O)C

InChI

InChI=1S/C13H15NO4S/c1-7-8(2)19-12(11(7)13(17)18)14-9(15)5-3-4-6-10(14)16/h3-6H2,1-2H3,(H,17,18)