2-[2-[(7-chloranyl-1,3-benzodioxol-5-yl)methylsulfanyl]ethyl]isoindole-1,3-dione

Systemtic Name: 2-[2-[(7-chloranyl-1,3-benzodioxol-5-yl)methylsulfanyl]ethyl]isoindole-1,3-dione Openeye Name: 2-[2-[(7-chloro-1,3-benzodioxol-5-yl)methylsulfanyl]ethyl]isoindoline-1,3-dione CAS Name: 2-[2-[(7-chloro-1,3-benzodioxol-5-yl)methylthio]ethyl]isoindole-1,3-dione IUPAC Name: 2-[2-[(7-chloro-1,3-benzodioxol-5-yl)methylsulfanyl]ethyl]isoindole-1,3-dione Traditional Name: 2-[2-[(7-chloro-1,3-benzodioxol-5-yl)methylthio]ethyl]isoindoline-1,3-quinone Formula: C18H14ClNO4S MolecularWeight: 375.82606

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C(=CC(=C2)CSCCN3C(=O)C4=CC=CC=C4C3=O)Cl

Isomeric SMILES

C1OC2=C(O1)C(=CC(=C2)CSCCN3C(=O)C4=CC=CC=C4C3=O)Cl

InChI

InChI=1S/C18H14ClNO4S/c19-14-7-11(8-15-16(14)24-10-23-15)9-25-6-5-20-17(21)12-3-1-2-4-13(12)18(20)22/h1-4,7-8H,5-6,9-10H2