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

Systemtic Name: sodium (Z)-2-(2,1,3-benzothiadiazol-5-yl)-3-[(4-methoxy-3-methyl-phenyl)methyl]-4-oxidanylidene-4-phenyl-but-2-enoate Openeye Name: sodium (Z)-2-(2,1,3-benzothiadiazol-5-yl)-3-[(4-methoxy-3-methyl-phenyl)methyl]-4-oxo-4-phenyl-but-2-enoate CAS Name: sodium (Z)-2-(2,1,3-benzothiadiazol-5-yl)-3-[(4-methoxy-3-methylphenyl)methyl]-4-oxo-4-phenyl-2-butenoate IUPAC Name: sodium (Z)-2-(2,1,3-benzothiadiazol-5-yl)-3-[(4-methoxy-3-methylphenyl)methyl]-4-oxo-4-phenylbut-2-enoate Traditional Name: sodium (Z)-4-keto-3-(4-methoxy-3-methyl-benzyl)-4-phenyl-2-piazthiol-5-yl-but-2-enoate Formula: C25H19N2NaO4S MolecularWeight: 466.48413

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)CC(=C(C2=CC3=NSN=C3C=C2)C(=O)[O-])C(=O)C4=CC=CC=C4)OC.[Na+]

Isomeric SMILES

CC1=C(C=CC(=C1)C/C(=C(\C2=CC3=NSN=C3C=C2)/C(=O)[O-])/C(=O)C4=CC=CC=C4)OC.[Na+]

InChI

InChI=1S/C25H20N2O4S.Na/c1-15-12-16(8-11-22(15)31-2)13-19(24(28)17-6-4-3-5-7-17)23(25(29)30)18-9-10-20-21(14-18)27-32-26-20;/h3-12,14H,13H2,1-2H3,(H,29,30);/q;+1/p-1/b23-19-;