ethanedioic acid; 2-thiophen-2-ylazepane

Systemtic Name: ethanedioic acid; 2-thiophen-2-ylazepane Openeye Name: oxalic acid; 2-(2-thienyl)azepane CAS Name: oxalic acid; 2-thiophen-2-ylazepane IUPAC Name: oxalic acid; 2-thiophen-2-ylazepane Traditional Name: oxalic acid; 2-(2-thienyl)azepane Formula: C12H17NO4S MolecularWeight: 271.33268

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(NCC1)C2=CC=CS2.C(=O)(C(=O)O)O

Isomeric SMILES

C1CCC(NCC1)C2=CC=CS2.C(=O)(C(=O)O)O

InChI

InChI=1S/C10H15NS.C2H2O4/c1-2-5-9(11-7-3-1)10-6-4-8-12-10;3-1(4)2(5)6/h4,6,8-9,11H,1-3,5,7H2;(H,3,4)(H,5,6)