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

Systemtic Name: sodium (E)-2-(2,1,3-benzothiadiazol-5-yl)-3,4-bis(4-methoxyphenyl)-4-oxidanylidene-but-2-enoate Openeye Name: sodium (E)-2-(2,1,3-benzothiadiazol-5-yl)-3,4-bis(4-methoxyphenyl)-4-oxo-but-2-enoate CAS Name: sodium (E)-2-(2,1,3-benzothiadiazol-5-yl)-3,4-bis(4-methoxyphenyl)-4-oxo-2-butenoate IUPAC Name: sodium (E)-2-(2,1,3-benzothiadiazol-5-yl)-3,4-bis(4-methoxyphenyl)-4-oxobut-2-enoate Traditional Name: sodium (E)-4-keto-3,4-bis(4-methoxyphenyl)-2-piazthiol-5-yl-but-2-enoate Formula: C24H17N2NaO5S MolecularWeight: 468.45695

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H18N2O5S.Na/c1-30-17-8-3-14(4-9-17)21(23(27)15-5-10-18(31-2)11-6-15)22(24(28)29)16-7-12-19-20(13-16)26-32-25-19;/h3-13H,1-2H3,(H,28,29);/q;+1/p-1/b22-21+;