7-(thiophen-2-ylmethylamino)-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylate

Systemtic Name: 7-(thiophen-2-ylmethylamino)-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylate Openeye Name: 7-(2-thienylmethylamino)-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylate CAS Name: 7-(thiophen-2-ylmethylamino)-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxylate IUPAC Name: 7-(thiophen-2-ylmethylamino)-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylate Traditional Name: 7-(2-thenylamino)-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxylate Formula: C15H14NO4S- MolecularWeight: 304.34096

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C(=C2)C(=O)[O-])NCC3=CC=CS3)OC1

Isomeric SMILES

C1COC2=C(C=C(C(=C2)C(=O)[O-])NCC3=CC=CS3)OC1

InChI

InChI=1S/C15H15NO4S/c17-15(18)11-7-13-14(20-5-2-4-19-13)8-12(11)16-9-10-3-1-6-21-10/h1,3,6-8,16H,2,4-5,9H2,(H,17,18)/p-1