(6-chloranylpyridin-3-yl)methyl 4-(1,3-dithiolan-2-yl)benzoate

Systemtic Name: (6-chloranylpyridin-3-yl)methyl 4-(1,3-dithiolan-2-yl)benzoate Openeye Name: (6-chloro-3-pyridyl)methyl 4-(1,3-dithiolan-2-yl)benzoate CAS Name: 4-(1,3-dithiolan-2-yl)benzoic acid (6-chloro-3-pyridinyl)methyl ester IUPAC Name: (6-chloropyridin-3-yl)methyl 4-(1,3-dithiolan-2-yl)benzoate Traditional Name: 4-(1,3-dithiolan-2-yl)benzoic acid (6-chloro-3-pyridyl)methyl ester Formula: C16H14ClNO2S2 MolecularWeight: 351.87086

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC(S1)C2=CC=C(C=C2)C(=O)OCC3=CN=C(C=C3)Cl

Isomeric SMILES

C1CSC(S1)C2=CC=C(C=C2)C(=O)OCC3=CN=C(C=C3)Cl

InChI

InChI=1S/C16H14ClNO2S2/c17-14-6-1-11(9-18-14)10-20-15(19)12-2-4-13(5-3-12)16-21-7-8-22-16/h1-6,9,16H,7-8,10H2