bis(1,3-benzothiazol-2-ylmethyl) thiophene-2,5-dicarboxylate

Systemtic Name: bis(1,3-benzothiazol-2-ylmethyl) thiophene-2,5-dicarboxylate Openeye Name: bis(1,3-benzothiazol-2-ylmethyl) thiophene-2,5-dicarboxylate CAS Name: thiophene-2,5-dicarboxylic acid bis(1,3-benzothiazol-2-ylmethyl) ester IUPAC Name: bis(1,3-benzothiazol-2-ylmethyl) thiophene-2,5-dicarboxylate Traditional Name: thiophene-2,5-dicarboxylic acid bis(1,3-benzothiazol-2-ylmethyl) ester Formula: C22H14N2O4S3 MolecularWeight: 466.55256

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)COC(=O)C3=CC=C(S3)C(=O)OCC4=NC5=CC=CC=C5S4

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)COC(=O)C3=CC=C(S3)C(=O)OCC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C22H14N2O4S3/c25-21(27-11-19-23-13-5-1-3-7-15(13)30-19)17-9-10-18(29-17)22(26)28-12-20-24-14-6-2-4-8-16(14)31-20/h1-10H,11-12H2