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

Systemtic Name: sodium (E)-2-(2,1,3-benzothiadiazol-5-yl)-4-oxidanylidene-4-phenyl-3-[(4-phenylmethoxyphenyl)methyl]but-2-enoate Openeye Name: sodium (E)-2-(2,1,3-benzothiadiazol-5-yl)-3-[(4-benzyloxyphenyl)methyl]-4-oxo-4-phenyl-but-2-enoate CAS Name: sodium (E)-2-(2,1,3-benzothiadiazol-5-yl)-4-oxo-4-phenyl-3-[(4-phenylmethoxyphenyl)methyl]-2-butenoate IUPAC Name: sodium (E)-2-(2,1,3-benzothiadiazol-5-yl)-4-oxo-4-phenyl-3-[(4-phenylmethoxyphenyl)methyl]but-2-enoate Traditional Name: sodium (E)-3-(4-benzoxybenzyl)-4-keto-4-phenyl-2-piazthiol-5-yl-but-2-enoate Formula: C30H21N2NaO4S MolecularWeight: 528.55351

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC=C(C=C2)CC(=C(C3=CC4=NSN=C4C=C3)C(=O)[O-])C(=O)C5=CC=CC=C5.[Na+]

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC=C(C=C2)C/C(=C(/C3=CC4=NSN=C4C=C3)\C(=O)[O-])/C(=O)C5=CC=CC=C5.[Na+]

InChI

InChI=1S/C30H22N2O4S.Na/c33-29(22-9-5-2-6-10-22)25(28(30(34)35)23-13-16-26-27(18-23)32-37-31-26)17-20-11-14-24(15-12-20)36-19-21-7-3-1-4-8-21;/h1-16,18H,17,19H2,(H,34,35);/q;+1/p-1/b28-25+;