quinolin-8-ylmethyl 4-(1,3-dithian-2-yl)benzoate

Systemtic Name: quinolin-8-ylmethyl 4-(1,3-dithian-2-yl)benzoate Openeye Name: 8-quinolylmethyl 4-(1,3-dithian-2-yl)benzoate CAS Name: 4-(1,3-dithian-2-yl)benzoic acid 8-quinolinylmethyl ester IUPAC Name: quinolin-8-ylmethyl 4-(1,3-dithian-2-yl)benzoate Traditional Name: 4-(1,3-dithian-2-yl)benzoic acid 8-quinolylmethyl ester Formula: C21H19NO2S2 MolecularWeight: 381.51106

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC(SC1)C2=CC=C(C=C2)C(=O)OCC3=CC=CC4=C3N=CC=C4

Isomeric SMILES

C1CSC(SC1)C2=CC=C(C=C2)C(=O)OCC3=CC=CC4=C3N=CC=C4

InChI

InChI=1S/C21H19NO2S2/c23-20(16-7-9-17(10-8-16)21-25-12-3-13-26-21)24-14-18-5-1-4-15-6-2-11-22-19(15)18/h1-2,4-11,21H,3,12-14H2