S-(1,3-benzothiazol-2-yl) (E)-octadec-9-enethioate

Systemtic Name: S-(1,3-benzothiazol-2-yl) (E)-octadec-9-enethioate Openeye Name: S-(1,3-benzothiazol-2-yl) (E)-octadec-9-enethioate CAS Name: (E)-9-octadecenethioic acid S-(1,3-benzothiazol-2-yl) ester IUPAC Name: S-(1,3-benzothiazol-2-yl) (E)-octadec-9-enethioate Traditional Name: (E)-octadec-9-enethioic acid S-(1,3-benzothiazol-2-yl) ester Formula: C25H37NOS2 MolecularWeight: 431.69738

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)SC1=NC2=CC=CC=C2S1

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)SC1=NC2=CC=CC=C2S1

InChI

InChI=1S/C25H37NOS2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-24(27)29-25-26-22-19-17-18-20-23(22)28-25/h9-10,17-20H,2-8,11-16,21H2,1H3/b10-9+