2-[(2-ethylsulfanyl-1,3-benzothiazol-6-yl)methyl]isoindole-1,3-dione

Systemtic Name: 2-[(2-ethylsulfanyl-1,3-benzothiazol-6-yl)methyl]isoindole-1,3-dione Openeye Name: 2-[(2-ethylsulfanyl-1,3-benzothiazol-6-yl)methyl]isoindoline-1,3-dione CAS Name: 2-[[2-(ethylthio)-1,3-benzothiazol-6-yl]methyl]isoindole-1,3-dione IUPAC Name: 2-[(2-ethylsulfanyl-1,3-benzothiazol-6-yl)methyl]isoindole-1,3-dione Traditional Name: 2-[[2-(ethylthio)-1,3-benzothiazol-6-yl]methyl]isoindoline-1,3-quinone Formula: C18H14N2O2S2 MolecularWeight: 354.44596

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC2=C(S1)C=C(C=C2)CN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CCSC1=NC2=C(S1)C=C(C=C2)CN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C18H14N2O2S2/c1-2-23-18-19-14-8-7-11(9-15(14)24-18)10-20-16(21)12-5-3-4-6-13(12)17(20)22/h3-9H,2,10H2,1H3