2-[2,7-bis(oxidanylidene)azepan-1-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid

Systemtic Name: 2-[2,7-bis(oxidanylidene)azepan-1-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid Openeye Name: 2-(2,7-dioxoazepan-1-yl)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid CAS Name: 2-(2,7-dioxo-1-azepanyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid IUPAC Name: 2-(2,7-dioxoazepan-1-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid Traditional Name: 2-(2,7-diketoazepan-1-yl)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid Formula: C15H17NO4S MolecularWeight: 307.36478

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)N3C(=O)CCCCC3=O)C(=O)O

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)N3C(=O)CCCCC3=O)C(=O)O

InChI

InChI=1S/C15H17NO4S/c17-11-7-3-4-8-12(18)16(11)14-13(15(19)20)9-5-1-2-6-10(9)21-14/h1-8H2,(H,19,20)