1,5-dithiocan-2-yl 2-methyl-1,3-benzothiazole-5-carboxylate

Systemtic Name: 1,5-dithiocan-2-yl 2-methyl-1,3-benzothiazole-5-carboxylate Openeye Name: 1,5-dithiocan-2-yl 2-methyl-1,3-benzothiazole-5-carboxylate CAS Name: 2-methyl-1,3-benzothiazole-5-carboxylic acid 1,5-dithiocan-2-yl ester IUPAC Name: 1,5-dithiocan-2-yl 2-methyl-1,3-benzothiazole-5-carboxylate Traditional Name: 2-methyl-1,3-benzothiazole-5-carboxylic acid 1,5-dithiocan-2-yl ester Formula: C15H17NO2S3 MolecularWeight: 339.49598

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(S1)C=CC(=C2)C(=O)OC3CCSCCCS3

Isomeric SMILES

CC1=NC2=C(S1)C=CC(=C2)C(=O)OC3CCSCCCS3

InChI

InChI=1S/C15H17NO2S3/c1-10-16-12-9-11(3-4-13(12)21-10)15(17)18-14-5-8-19-6-2-7-20-14/h3-4,9,14H,2,5-8H2,1H3