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

Systemtic Name: [2-oxidanylidene-2-(2-phenylsulfanylethylamino)ethyl] 7-chloranyl-1,3-benzodioxole-5-carboxylate Openeye Name: [2-oxo-2-(2-phenylsulfanylethylamino)ethyl] 7-chloro-1,3-benzodioxole-5-carboxylate CAS Name: 7-chloro-1,3-benzodioxole-5-carboxylic acid [2-oxo-2-[2-(phenylthio)ethylamino]ethyl] ester IUPAC Name: [2-oxo-2-(2-phenylsulfanylethylamino)ethyl] 7-chloro-1,3-benzodioxole-5-carboxylate Traditional Name: 7-chloro-piperonylic acid [2-keto-2-[2-(phenylthio)ethylamino]ethyl] ester Formula: C18H16ClNO5S MolecularWeight: 393.84134

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C(=CC(=C2)C(=O)OCC(=O)NCCSC3=CC=CC=C3)Cl

Isomeric SMILES

C1OC2=C(O1)C(=CC(=C2)C(=O)OCC(=O)NCCSC3=CC=CC=C3)Cl

InChI

InChI=1S/C18H16ClNO5S/c19-14-8-12(9-15-17(14)25-11-24-15)18(22)23-10-16(21)20-6-7-26-13-4-2-1-3-5-13/h1-5,8-9H,6-7,10-11H2,(H,20,21)