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diethyl 2-(1,3-benzothiazol-2-yl)propanedioate

diethyl 2-(1,3-benzothiazol-2-yl)propanedioate

Systemtic Name:diethyl 2-(1,3-benzothiazol-2-yl)propanedioate
Openeye Name:diethyl 2-(1,3-benzothiazol-2-yl)propanedioate
CAS Name:2-(1,3-benzothiazol-2-yl)propanedioic acid diethyl ester
IUPAC Name:diethyl 2-(1,3-benzothiazol-2-yl)propanedioate
Traditional Name:2-(1,3-benzothiazol-2-yl)malonic acid diethyl ester
Formula: C14H15NO4S
MolecularWeight: 293.3382
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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C1=NC2=CC=CC=C2S1)C(=O)OCC


Isomeric SMILES

CCOC(=O)C(C1=NC2=CC=CC=C2S1)C(=O)OCC


InChI

InChI=1S/C14H15NO4S/c1-3-18-13(16)11(14(17)19-4-2)12-15-9-7-5-6-8-10(9)20-12/h5-8,11H,3-4H2,1-2H3


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