1,3-benzothiazol-2-ylmethyl 4-(1,3-dithiolan-2-yl)benzoate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 4-(1,3-dithiolan-2-yl)benzoate Openeye Name: 1,3-benzothiazol-2-ylmethyl 4-(1,3-dithiolan-2-yl)benzoate CAS Name: 4-(1,3-dithiolan-2-yl)benzoic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 4-(1,3-dithiolan-2-yl)benzoate Traditional Name: 4-(1,3-dithiolan-2-yl)benzoic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C18H15NO2S3 MolecularWeight: 373.5122

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC(S1)C2=CC=C(C=C2)C(=O)OCC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1CSC(S1)C2=CC=C(C=C2)C(=O)OCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C18H15NO2S3/c20-17(12-5-7-13(8-6-12)18-22-9-10-23-18)21-11-16-19-14-3-1-2-4-15(14)24-16/h1-8,18H,9-11H2