1,3-benzothiazol-2-ylmethyl 5-(1,3-benzothiazol-2-yl)pentanoate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 5-(1,3-benzothiazol-2-yl)pentanoate Openeye Name: 1,3-benzothiazol-2-ylmethyl 5-(1,3-benzothiazol-2-yl)pentanoate CAS Name: 5-(1,3-benzothiazol-2-yl)pentanoic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 5-(1,3-benzothiazol-2-yl)pentanoate Traditional Name: 5-(1,3-benzothiazol-2-yl)valeric acid 1,3-benzothiazol-2-ylmethyl ester Formula: C20H18N2O2S2 MolecularWeight: 382.49912

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)CCCCC(=O)OCC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)CCCCC(=O)OCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C20H18N2O2S2/c23-20(24-13-19-22-15-8-2-4-10-17(15)26-19)12-6-5-11-18-21-14-7-1-3-9-16(14)25-18/h1-4,7-10H,5-6,11-13H2