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diphenyl 2-(1,3-benzothiazol-2-ylsulfanylmethyl)pentanedioate

diphenyl 2-(1,3-benzothiazol-2-ylsulfanylmethyl)pentanedioate

Systemtic Name:diphenyl 2-(1,3-benzothiazol-2-ylsulfanylmethyl)pentanedioate
Openeye Name:diphenyl 2-(1,3-benzothiazol-2-ylsulfanylmethyl)pentanedioate
CAS Name:2-[(1,3-benzothiazol-2-ylthio)methyl]pentanedioic acid diphenyl ester
IUPAC Name:diphenyl 2-(1,3-benzothiazol-2-ylsulfanylmethyl)pentanedioate
Traditional Name:2-[(1,3-benzothiazol-2-ylthio)methyl]glutaric acid diphenyl ester
Formula: C25H21NO4S2
MolecularWeight: 463.56854
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC(=O)CCC(CSC2=NC3=CC=CC=C3S2)C(=O)OC4=CC=CC=C4


Isomeric SMILES

C1=CC=C(C=C1)OC(=O)CCC(CSC2=NC3=CC=CC=C3S2)C(=O)OC4=CC=CC=C4


InChI

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


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