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

Systemtic Name: sodium (E)-2-(2,1,3-benzothiadiazol-5-yl)-3-[(4-ethoxycarbonylphenyl)methyl]-4-oxidanylidene-4-phenyl-but-2-enoate Openeye Name: sodium (E)-2-(2,1,3-benzothiadiazol-5-yl)-3-[(4-ethoxycarbonylphenyl)methyl]-4-oxo-4-phenyl-but-2-enoate CAS Name: sodium (E)-2-(2,1,3-benzothiadiazol-5-yl)-3-[(4-ethoxycarbonylphenyl)methyl]-4-oxo-4-phenyl-2-butenoate IUPAC Name: sodium (E)-2-(2,1,3-benzothiadiazol-5-yl)-3-[(4-ethoxycarbonylphenyl)methyl]-4-oxo-4-phenylbut-2-enoate Traditional Name: sodium (E)-3-(4-carbethoxybenzyl)-4-keto-4-phenyl-2-piazthiol-5-yl-but-2-enoate Formula: C26H19N2NaO5S MolecularWeight: 494.49423

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCOC(=O)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/C26H20N2O5S.Na/c1-2-33-26(32)18-10-8-16(9-11-18)14-20(24(29)17-6-4-3-5-7-17)23(25(30)31)19-12-13-21-22(15-19)28-34-27-21;/h3-13,15H,2,14H2,1H3,(H,30,31);/q;+1/p-1/b23-20+;