1-[8-[2-[(E)-2-(1,3-benzothiazol-2-yl)ethenyl]-5-[bis[4-[(E)-2-(1,3-benzothiazol-2-yl)ethenyl]phenyl]amino]phenoxy]octyl]pyrrole-2,5-dione

Systemtic Name: 1-[8-[2-[(E)-2-(1,3-benzothiazol-2-yl)ethenyl]-5-[bis[4-[(E)-2-(1,3-benzothiazol-2-yl)ethenyl]phenyl]amino]phenoxy]octyl]pyrrole-2,5-dione Openeye Name: 1-[8-[2-[(E)-2-(1,3-benzothiazol-2-yl)vinyl]-5-[4-[(E)-2-(1,3-benzothiazol-2-yl)vinyl]-N-[4-[(E)-2-(1,3-benzothiazol-2-yl)vinyl]phenyl]anilino]phenoxy]octyl]pyrrole-2,5-dione CAS Name: 1-[8-[2-[(E)-2-(1,3-benzothiazol-2-yl)ethenyl]-5-[4-[(E)-2-(1,3-benzothiazol-2-yl)ethenyl]-N-[4-[(E)-2-(1,3-benzothiazol-2-yl)ethenyl]phenyl]anilino]phenoxy]octyl]pyrrole-2,5-dione IUPAC Name: 1-[8-[2-[(E)-2-(1,3-benzothiazol-2-yl)ethenyl]-5-[4-[(E)-2-(1,3-benzothiazol-2-yl)ethenyl]-N-[4-[(E)-2-(1,3-benzothiazol-2-yl)ethenyl]phenyl]anilino]phenoxy]octyl]pyrrole-2,5-dione Traditional Name: 1-[8-[2-[(E)-2-(1,3-benzothiazol-2-yl)vinyl]-5-[4-[(E)-2-(1,3-benzothiazol-2-yl)vinyl]-N-[4-[(E)-2-(1,3-benzothiazol-2-yl)vinyl]phenyl]anilino]phenoxy]octyl]-3-pyrroline-2,5-quinone Formula: C57H47N5O3S3 MolecularWeight: 946.20978

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)C=CC3=CC=C(C=C3)N(C4=CC=C(C=C4)C=CC5=NC6=CC=CC=C6S5)C7=CC(=C(C=C7)C=CC8=NC9=CC=CC=C9S8)OCCCCCCCCN1C(=O)C=CC1=O

Isomeric SMILES

C1=CC=C2SC(=NC2=C1)/C=C/C3=CC=C(C=C3)N(C4=CC(=C(C=C4)/C=C/C5=NC6=CC=CC=C6S5)OCCCCCCCCN7C(=O)C=CC7=O)C8=CC=C(C=C8)/C=C/C9=NC1=CC=CC=C1S9

InChI

InChI=1S/C57H47N5O3S3/c63-56-35-36-57(64)61(56)37-11-3-1-2-4-12-38-65-49-39-45(31-25-42(49)26-34-55-60-48-15-7-10-18-52(48)68-55)62(43-27-19-40(20-28-43)23-32-53-58-46-13-5-8-16-50(46)66-53)44-29-21-41(22-30-44)24-33-54-59-47-14-6-9-17-51(47)67-54/h5-10,13-36,39H,1-4,11-12,37-38H2/b32-23+,33-24+,34-26+