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

Systemtic Name: 5-[2,7-bis(oxidanylidene)azepan-1-yl]-3-methyl-thiophene-2-carboxylic acid Openeye Name: 5-(2,7-dioxoazepan-1-yl)-3-methyl-thiophene-2-carboxylic acid CAS Name: 5-(2,7-dioxo-1-azepanyl)-3-methyl-2-thiophenecarboxylic acid IUPAC Name: 5-(2,7-dioxoazepan-1-yl)-3-methylthiophene-2-carboxylic acid Traditional Name: 5-(2,7-diketoazepan-1-yl)-3-methyl-2-thenoic acid Formula: C12H13NO4S MolecularWeight: 267.30092

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1)N2C(=O)CCCCC2=O)C(=O)O

Isomeric SMILES

CC1=C(SC(=C1)N2C(=O)CCCCC2=O)C(=O)O

InChI

InChI=1S/C12H13NO4S/c1-7-6-10(18-11(7)12(16)17)13-8(14)4-2-3-5-9(13)15/h6H,2-5H2,1H3,(H,16,17)