2-[2-(1,3-benzoxazol-2-ylsulfanyl)ethyl]isoindole-1,3-dione

Systemtic Name: 2-[2-(1,3-benzoxazol-2-ylsulfanyl)ethyl]isoindole-1,3-dione Openeye Name: 2-[2-(1,3-benzoxazol-2-ylsulfanyl)ethyl]isoindoline-1,3-dione CAS Name: 2-[2-(1,3-benzoxazol-2-ylthio)ethyl]isoindole-1,3-dione IUPAC Name: 2-[2-(1,3-benzoxazol-2-ylsulfanyl)ethyl]isoindole-1,3-dione Traditional Name: 2-[2-(1,3-benzoxazol-2-ylthio)ethyl]isoindoline-1,3-quinone Formula: C17H12N2O3S MolecularWeight: 324.35378

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)CCSC3=NC4=CC=CC=C4O3

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)CCSC3=NC4=CC=CC=C4O3

InChI

InChI=1S/C17H12N2O3S/c20-15-11-5-1-2-6-12(11)16(21)19(15)9-10-23-17-18-13-7-3-4-8-14(13)22-17/h1-8H,9-10H2