methyl 8-(1,3,2-benzodithiazol-2-yl)octanoate

Systemtic Name: methyl 8-(1,3,2-benzodithiazol-2-yl)octanoate Openeye Name: methyl 8-(1,3,2-benzodithiazol-2-yl)octanoate CAS Name: 8-(1,3,2-benzodithiazol-2-yl)octanoic acid methyl ester IUPAC Name: methyl 8-(1,3,2-benzodithiazol-2-yl)octanoate Traditional Name: 8-(1,3,2-benzodithiazol-2-yl)caprylic acid methyl ester Formula: C15H21NO2S2 MolecularWeight: 311.46274

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCCCN1SC2=CC=CC=C2S1

Isomeric SMILES

COC(=O)CCCCCCCN1SC2=CC=CC=C2S1

InChI

InChI=1S/C15H21NO2S2/c1-18-15(17)11-5-3-2-4-8-12-16-19-13-9-6-7-10-14(13)20-16/h6-7,9-10H,2-5,8,11-12H2,1H3