sodium (E)-2-(2,1,3-benzothiadiazol-5-yl)-4-oxidanylidene-4-phenyl-3-(phenylmethyl)but-2-enoate

Systemtic Name: sodium (E)-2-(2,1,3-benzothiadiazol-5-yl)-4-oxidanylidene-4-phenyl-3-(phenylmethyl)but-2-enoate Openeye Name: sodium (E)-2-(2,1,3-benzothiadiazol-5-yl)-3-benzyl-4-oxo-4-phenyl-but-2-enoate CAS Name: sodium (E)-2-(2,1,3-benzothiadiazol-5-yl)-4-oxo-4-phenyl-3-(phenylmethyl)-2-butenoate IUPAC Name: sodium (E)-2-(2,1,3-benzothiadiazol-5-yl)-3-benzyl-4-oxo-4-phenylbut-2-enoate Traditional Name: sodium (E)-3-benzyl-4-keto-4-phenyl-2-piazthiol-5-yl-but-2-enoate Formula: C23H15N2NaO3S MolecularWeight: 422.43157

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(=C(C2=CC3=NSN=C3C=C2)C(=O)[O-])C(=O)C4=CC=CC=C4.[Na+]

Isomeric SMILES

C1=CC=C(C=C1)C/C(=C(/C2=CC3=NSN=C3C=C2)\C(=O)[O-])/C(=O)C4=CC=CC=C4.[Na+]

InChI

InChI=1S/C23H16N2O3S.Na/c26-22(16-9-5-2-6-10-16)18(13-15-7-3-1-4-8-15)21(23(27)28)17-11-12-19-20(14-17)25-29-24-19;/h1-12,14H,13H2,(H,27,28);/q;+1/p-1/b21-18+;