(E)-2-(2,1,3-benzothiadiazol-5-yl)-4-(3-fluoranyl-4-methoxy-phenyl)-4-oxidanylidene-3-[(3,4,5-trimethoxyphenyl)methyl]but-2-enoic acid

Systemtic Name: (E)-2-(2,1,3-benzothiadiazol-5-yl)-4-(3-fluoranyl-4-methoxy-phenyl)-4-oxidanylidene-3-[(3,4,5-trimethoxyphenyl)methyl]but-2-enoic acid Openeye Name: (E)-2-(2,1,3-benzothiadiazol-5-yl)-4-(3-fluoro-4-methoxy-phenyl)-4-oxo-3-[(3,4,5-trimethoxyphenyl)methyl]but-2-enoic acid CAS Name: (E)-2-(2,1,3-benzothiadiazol-5-yl)-4-(3-fluoro-4-methoxyphenyl)-4-oxo-3-[(3,4,5-trimethoxyphenyl)methyl]-2-butenoic acid IUPAC Name: (E)-2-(2,1,3-benzothiadiazol-5-yl)-4-(3-fluoro-4-methoxyphenyl)-4-oxo-3-[(3,4,5-trimethoxyphenyl)methyl]but-2-enoic acid Traditional Name: (E)-4-(3-fluoro-4-methoxy-phenyl)-4-keto-2-piazthiol-5-yl-3-(3,4,5-trimethoxybenzyl)but-2-enoic acid Formula: C27H23FN2O7S MolecularWeight: 538.544123

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)C(=C(C2=CC3=NSN=C3C=C2)C(=O)O)CC4=CC(=C(C(=C4)OC)OC)OC)F

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)/C(=C(\C2=CC3=NSN=C3C=C2)/C(=O)O)/CC4=CC(=C(C(=C4)OC)OC)OC)F

InChI

InChI=1S/C27H23FN2O7S/c1-34-21-8-6-16(12-18(21)28)25(31)17(9-14-10-22(35-2)26(37-4)23(11-14)36-3)24(27(32)33)15-5-7-19-20(13-15)30-38-29-19/h5-8,10-13H,9H2,1-4H3,(H,32,33)/b24-17+