[2-(1,3-benzothiazol-2-yl)-1,3-benzothiazol-6-yl] heptanoate

Systemtic Name: [2-(1,3-benzothiazol-2-yl)-1,3-benzothiazol-6-yl] heptanoate Openeye Name: [2-(1,3-benzothiazol-2-yl)-1,3-benzothiazol-6-yl] heptanoate CAS Name: heptanoic 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] heptanoate Traditional Name: enanthic acid [2-(1,3-benzothiazol-2-yl)-1,3-benzothiazol-6-yl] ester Formula: C21H20N2O2S2 MolecularWeight: 396.5257

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20N2O2S2/c1-2-3-4-5-10-19(24)25-14-11-12-16-18(13-14)27-21(23-16)20-22-15-8-6-7-9-17(15)26-20/h6-9,11-13H,2-5,10H2,1H3