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

Systemtic Name: sodium (E)-2-(2,1,3-benzothiadiazol-5-yl)-3-[(4-tert-butylphenyl)methyl]-4-oxidanylidene-4-phenyl-but-2-enoate Openeye Name: sodium (E)-2-(2,1,3-benzothiadiazol-5-yl)-3-[(4-tert-butylphenyl)methyl]-4-oxo-4-phenyl-but-2-enoate CAS Name: sodium (E)-2-(2,1,3-benzothiadiazol-5-yl)-3-[(4-tert-butylphenyl)methyl]-4-oxo-4-phenyl-2-butenoate IUPAC Name: sodium (E)-2-(2,1,3-benzothiadiazol-5-yl)-3-[(4-tert-butylphenyl)methyl]-4-oxo-4-phenylbut-2-enoate Traditional Name: sodium (E)-3-(4-tert-butylbenzyl)-4-keto-4-phenyl-2-piazthiol-5-yl-but-2-enoate Formula: C27H23N2NaO3S MolecularWeight: 478.53789

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)(C)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/C27H24N2O3S.Na/c1-27(2,3)20-12-9-17(10-13-20)15-21(25(30)18-7-5-4-6-8-18)24(26(31)32)19-11-14-22-23(16-19)29-33-28-22;/h4-14,16H,15H2,1-3H3,(H,31,32);/q;+1/p-1/b24-21+;