(Z)-2-(2,1,3-benzothiadiazol-5-yl)-3-[[3-(dimethylamino)phenyl]methyl]-4-(4-methylphenyl)-4-oxidanylidene-but-2-enoic acid

Systemtic Name: (Z)-2-(2,1,3-benzothiadiazol-5-yl)-3-[[3-(dimethylamino)phenyl]methyl]-4-(4-methylphenyl)-4-oxidanylidene-but-2-enoic acid Openeye Name: (Z)-2-(2,1,3-benzothiadiazol-5-yl)-3-[[3-(dimethylamino)phenyl]methyl]-4-oxo-4-(p-tolyl)but-2-enoic acid CAS Name: (Z)-2-(2,1,3-benzothiadiazol-5-yl)-3-[[3-(dimethylamino)phenyl]methyl]-4-(4-methylphenyl)-4-oxo-2-butenoic acid IUPAC Name: (Z)-2-(2,1,3-benzothiadiazol-5-yl)-3-[[3-(dimethylamino)phenyl]methyl]-4-(4-methylphenyl)-4-oxobut-2-enoic acid Traditional Name: (Z)-3-[3-(dimethylamino)benzyl]-4-keto-2-piazthiol-5-yl-4-(p-tolyl)but-2-enoic acid Formula: C26H23N3O3S MolecularWeight: 457.54412

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C(=C(C2=CC3=NSN=C3C=C2)C(=O)O)CC4=CC(=CC=C4)N(C)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)/C(=C(/C2=CC3=NSN=C3C=C2)\C(=O)O)/CC4=CC(=CC=C4)N(C)C

InChI

InChI=1S/C26H23N3O3S/c1-16-7-9-18(10-8-16)25(30)21(14-17-5-4-6-20(13-17)29(2)3)24(26(31)32)19-11-12-22-23(15-19)28-33-27-22/h4-13,15H,14H2,1-3H3,(H,31,32)/b24-21-