[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl] 4-(1,3-benzothiazol-2-ylsulfanylmethyl)benzoate

Systemtic Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl] 4-(1,3-benzothiazol-2-ylsulfanylmethyl)benzoate Openeye Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxo-ethyl] 4-(1,3-benzothiazol-2-ylsulfanylmethyl)benzoate CAS Name: 4-[(1,3-benzothiazol-2-ylthio)methyl]benzoic acid [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] 4-(1,3-benzothiazol-2-ylsulfanylmethyl)benzoate Traditional Name: 4-[(1,3-benzothiazol-2-ylthio)methyl]benzoic acid [2-keto-2-(piperonylamino)ethyl] ester Formula: C25H20N2O5S2 MolecularWeight: 492.5667

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=O)COC(=O)C3=CC=C(C=C3)CSC4=NC5=CC=CC=C5S4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=O)COC(=O)C3=CC=C(C=C3)CSC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C25H20N2O5S2/c28-23(26-12-17-7-10-20-21(11-17)32-15-31-20)13-30-24(29)18-8-5-16(6-9-18)14-33-25-27-19-3-1-2-4-22(19)34-25/h1-11H,12-15H2,(H,26,28)