sodium (Z)-3-(1,3-benzodioxol-5-ylmethyl)-2-(2,1,3-benzothiadiazol-5-yl)-4-oxidanylidene-4-phenyl-but-2-enoate

Systemtic Name: sodium (Z)-3-(1,3-benzodioxol-5-ylmethyl)-2-(2,1,3-benzothiadiazol-5-yl)-4-oxidanylidene-4-phenyl-but-2-enoate Openeye Name: sodium (Z)-3-(1,3-benzodioxol-5-ylmethyl)-2-(2,1,3-benzothiadiazol-5-yl)-4-oxo-4-phenyl-but-2-enoate CAS Name: sodium (Z)-3-(1,3-benzodioxol-5-ylmethyl)-2-(2,1,3-benzothiadiazol-5-yl)-4-oxo-4-phenyl-2-butenoate IUPAC Name: sodium (Z)-3-(1,3-benzodioxol-5-ylmethyl)-2-(2,1,3-benzothiadiazol-5-yl)-4-oxo-4-phenylbut-2-enoate Traditional Name: sodium (Z)-4-keto-4-phenyl-2-piazthiol-5-yl-3-piperonyl-but-2-enoate Formula: C24H15N2NaO5S MolecularWeight: 466.44107

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CC(=C(C3=CC4=NSN=C4C=C3)C(=O)[O-])C(=O)C5=CC=CC=C5.[Na+]

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C/C(=C(\C3=CC4=NSN=C4C=C3)/C(=O)[O-])/C(=O)C5=CC=CC=C5.[Na+]

InChI

InChI=1S/C24H16N2O5S.Na/c27-23(15-4-2-1-3-5-15)17(10-14-6-9-20-21(11-14)31-13-30-20)22(24(28)29)16-7-8-18-19(12-16)26-32-25-18;/h1-9,11-12H,10,13H2,(H,28,29);/q;+1/p-1/b22-17-;