[2-(1,3-benzothiazol-2-yl)-1,3-benzothiazol-6-yl] (E)-octadec-9-enoate

Systemtic Name: [2-(1,3-benzothiazol-2-yl)-1,3-benzothiazol-6-yl] (E)-octadec-9-enoate Openeye Name: [2-(1,3-benzothiazol-2-yl)-1,3-benzothiazol-6-yl] (E)-octadec-9-enoate CAS Name: (E)-9-octadecenoic acid [2-(1,3-benzothiazol-2-yl)-1,3-benzothiazol-6-yl] ester IUPAC Name: [2-(1,3-benzothiazol-2-yl)-1,3-benzothiazol-6-yl] (E)-octadec-9-enoate Traditional Name: (E)-octadec-9-enoic acid [2-(1,3-benzothiazol-2-yl)-1,3-benzothiazol-6-yl] ester Formula: C32H40N2O2S2 MolecularWeight: 548.8022

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)OC1=CC2=C(C=C1)N=C(S2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)OC1=CC2=C(C=C1)N=C(S2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C32H40N2O2S2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-30(35)36-25-22-23-27-29(24-25)38-32(34-27)31-33-26-19-17-18-20-28(26)37-31/h9-10,17-20,22-24H,2-8,11-16,21H2,1H3/b10-9+