3,4-bis(1,3-benzoxazol-2-ylsulfanyl)-1-(2-methoxyphenyl)pyrrole-2,5-dione

Systemtic Name: 3,4-bis(1,3-benzoxazol-2-ylsulfanyl)-1-(2-methoxyphenyl)pyrrole-2,5-dione Openeye Name: 3,4-bis(1,3-benzoxazol-2-ylsulfanyl)-1-(2-methoxyphenyl)pyrrole-2,5-dione CAS Name: 3,4-bis(1,3-benzoxazol-2-ylthio)-1-(2-methoxyphenyl)pyrrole-2,5-dione IUPAC Name: 3,4-bis(1,3-benzoxazol-2-ylsulfanyl)-1-(2-methoxyphenyl)pyrrole-2,5-dione Traditional Name: 3,4-bis(1,3-benzoxazol-2-ylthio)-1-(2-methoxyphenyl)-3-pyrroline-2,5-quinone Formula: C25H15N3O5S2 MolecularWeight: 501.5337

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2C(=O)C(=C(C2=O)SC3=NC4=CC=CC=C4O3)SC5=NC6=CC=CC=C6O5

Isomeric SMILES

COC1=CC=CC=C1N2C(=O)C(=C(C2=O)SC3=NC4=CC=CC=C4O3)SC5=NC6=CC=CC=C6O5

InChI

InChI=1S/C25H15N3O5S2/c1-31-19-13-7-4-10-16(19)28-22(29)20(34-24-26-14-8-2-5-11-17(14)32-24)21(23(28)30)35-25-27-15-9-3-6-12-18(15)33-25/h2-13H,1H3