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2-[1,3-benzothiazol-2-ylsulfanyl(diphenyl)methyl]pentanedioate

2-[1,3-benzothiazol-2-ylsulfanyl(diphenyl)methyl]pentanedioate

Systemtic Name:2-[1,3-benzothiazol-2-ylsulfanyl(diphenyl)methyl]pentanedioate
Openeye Name:2-[1,3-benzothiazol-2-ylsulfanyl(diphenyl)methyl]pentanedioate
CAS Name:2-[(1,3-benzothiazol-2-ylthio)-diphenylmethyl]pentanedioate
IUPAC Name:2-[1,3-benzothiazol-2-ylsulfanyl(diphenyl)methyl]pentanedioate
Traditional Name:2-[(1,3-benzothiazol-2-ylthio)-diphenyl-methyl]glutarate
Formula: C25H19NO4S2-2
MolecularWeight: 461.55266
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C2=CC=CC=C2)(C(CCC(=O)[O-])C(=O)[O-])SC3=NC4=CC=CC=C4S3


Isomeric SMILES

C1=CC=C(C=C1)C(C2=CC=CC=C2)(C(CCC(=O)[O-])C(=O)[O-])SC3=NC4=CC=CC=C4S3


InChI

InChI=1S/C25H21NO4S2/c27-22(28)16-15-19(23(29)30)25(17-9-3-1-4-10-17,18-11-5-2-6-12-18)32-24-26-20-13-7-8-14-21(20)31-24/h1-14,19H,15-16H2,(H,27,28)(H,29,30)/p-2


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