[2-oxidanylidene-2-(2-thiophen-2-ylethylamino)ethyl] 7-chloranyl-1,3-benzodioxole-5-carboxylate

Systemtic Name: [2-oxidanylidene-2-(2-thiophen-2-ylethylamino)ethyl] 7-chloranyl-1,3-benzodioxole-5-carboxylate Openeye Name: [2-oxo-2-[2-(2-thienyl)ethylamino]ethyl] 7-chloro-1,3-benzodioxole-5-carboxylate CAS Name: 7-chloro-1,3-benzodioxole-5-carboxylic acid [2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] ester IUPAC Name: [2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 7-chloro-1,3-benzodioxole-5-carboxylate Traditional Name: 7-chloro-piperonylic acid [2-keto-2-[2-(2-thienyl)ethylamino]ethyl] ester Formula: C16H14ClNO5S MolecularWeight: 367.80406

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C(=CC(=C2)C(=O)OCC(=O)NCCC3=CC=CS3)Cl

Isomeric SMILES

C1OC2=C(O1)C(=CC(=C2)C(=O)OCC(=O)NCCC3=CC=CS3)Cl

InChI

InChI=1S/C16H14ClNO5S/c17-12-6-10(7-13-15(12)23-9-22-13)16(20)21-8-14(19)18-4-3-11-2-1-5-24-11/h1-2,5-7H,3-4,8-9H2,(H,18,19)