[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl] 4H-thieno[3,2-c]chromene-2-carboxylate

Systemtic Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl] 4H-thieno[3,2-c]chromene-2-carboxylate Openeye Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxo-ethyl] 4H-thieno[3,2-c]chromene-2-carboxylate CAS Name: 4H-thieno[3,2-c][1]benzopyran-2-carboxylic acid [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] 4H-thieno[3,2-c]chromene-2-carboxylate Traditional Name: 4H-thieno[3,2-c]chromene-2-carboxylic acid [2-keto-2-(piperonylamino)ethyl] ester Formula: C22H17NO6S MolecularWeight: 423.43848

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(C3=CC=CC=C3O1)SC(=C2)C(=O)OCC(=O)NCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1C2=C(C3=CC=CC=C3O1)SC(=C2)C(=O)OCC(=O)NCC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C22H17NO6S/c24-20(23-9-13-5-6-17-18(7-13)29-12-28-17)11-27-22(25)19-8-14-10-26-16-4-2-1-3-15(16)21(14)30-19/h1-8H,9-12H2,(H,23,24)