[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl] 8-(1,3-benzothiazol-2-yl)naphthalene-1-carboxylate

Systemtic Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl] 8-(1,3-benzothiazol-2-yl)naphthalene-1-carboxylate Openeye Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxo-ethyl] 8-(1,3-benzothiazol-2-yl)naphthalene-1-carboxylate CAS Name: 8-(1,3-benzothiazol-2-yl)-1-naphthalenecarboxylic acid [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] 8-(1,3-benzothiazol-2-yl)naphthalene-1-carboxylate Traditional Name: 8-(1,3-benzothiazol-2-yl)naphthalene-1-carboxylic acid [2-keto-2-(piperonylamino)ethyl] ester Formula: C28H20N2O5S MolecularWeight: 496.5338

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=O)COC(=O)C3=CC=CC4=C3C(=CC=C4)C5=NC6=CC=CC=C6S5

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=O)COC(=O)C3=CC=CC4=C3C(=CC=C4)C5=NC6=CC=CC=C6S5

InChI

InChI=1S/C28H20N2O5S/c31-25(29-14-17-11-12-22-23(13-17)35-16-34-22)15-33-28(32)20-8-4-6-18-5-3-7-19(26(18)20)27-30-21-9-1-2-10-24(21)36-27/h1-13H,14-16H2,(H,29,31)