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

Systemtic Name: (Z)-2-(2,1,3-benzothiadiazol-5-yl)-3-[[3-methoxy-4,5-di(propan-2-yloxy)phenyl]methyl]-4-(4-methylphenyl)-4-oxidanylidene-but-2-enoic acid Openeye Name: (Z)-2-(2,1,3-benzothiadiazol-5-yl)-3-[(3,4-diisopropoxy-5-methoxy-phenyl)methyl]-4-oxo-4-(p-tolyl)but-2-enoic acid CAS Name: (Z)-2-(2,1,3-benzothiadiazol-5-yl)-3-[[3-methoxy-4,5-di(propan-2-yloxy)phenyl]methyl]-4-(4-methylphenyl)-4-oxo-2-butenoic acid IUPAC Name: (Z)-2-(2,1,3-benzothiadiazol-5-yl)-3-[[3-methoxy-4,5-di(propan-2-yloxy)phenyl]methyl]-4-(4-methylphenyl)-4-oxobut-2-enoic acid Traditional Name: (Z)-3-(3,4-diisopropoxy-5-methoxy-benzyl)-4-keto-2-piazthiol-5-yl-4-(p-tolyl)but-2-enoic acid Formula: C31H32N2O6S MolecularWeight: 560.66058

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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(=C(C(=C4)OC(C)C)OC(C)C)OC

Isomeric SMILES

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

InChI

InChI=1S/C31H32N2O6S/c1-17(2)38-27-15-20(14-26(37-6)30(27)39-18(3)4)13-23(29(34)21-9-7-19(5)8-10-21)28(31(35)36)22-11-12-24-25(16-22)33-40-32-24/h7-12,14-18H,13H2,1-6H3,(H,35,36)/b28-23-