sodium (E)-2-(2,1,3-benzothiadiazol-5-yl)-3-[(4-methoxyphenyl)methyl]-4-oxidanylidene-4-phenyl-but-2-enoate

Systemtic Name: sodium (E)-2-(2,1,3-benzothiadiazol-5-yl)-3-[(4-methoxyphenyl)methyl]-4-oxidanylidene-4-phenyl-but-2-enoate Openeye Name: sodium (E)-2-(2,1,3-benzothiadiazol-5-yl)-3-[(4-methoxyphenyl)methyl]-4-oxo-4-phenyl-but-2-enoate CAS Name: sodium (E)-2-(2,1,3-benzothiadiazol-5-yl)-3-[(4-methoxyphenyl)methyl]-4-oxo-4-phenyl-2-butenoate IUPAC Name: sodium (E)-2-(2,1,3-benzothiadiazol-5-yl)-3-[(4-methoxyphenyl)methyl]-4-oxo-4-phenylbut-2-enoate Traditional Name: sodium (E)-4-keto-3-p-anisyl-4-phenyl-2-piazthiol-5-yl-but-2-enoate Formula: C24H17N2NaO4S MolecularWeight: 452.45755

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CC(=C(C2=CC3=NSN=C3C=C2)C(=O)[O-])C(=O)C4=CC=CC=C4.[Na+]

Isomeric SMILES

COC1=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/C24H18N2O4S.Na/c1-30-18-10-7-15(8-11-18)13-19(23(27)16-5-3-2-4-6-16)22(24(28)29)17-9-12-20-21(14-17)26-31-25-20;/h2-12,14H,13H2,1H3,(H,28,29);/q;+1/p-1/b22-19+;