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

Systemtic Name: (Z)-2-(2,1,3-benzothiadiazol-5-yl)-3-[[3-(cyclopropylmethoxy)-4,5-dimethoxy-phenyl]methyl]-4-(4-methoxyphenyl)-4-oxidanylidene-but-2-enoic acid Openeye Name: (Z)-2-(2,1,3-benzothiadiazol-5-yl)-3-[[3-(cyclopropylmethoxy)-4,5-dimethoxy-phenyl]methyl]-4-(4-methoxyphenyl)-4-oxo-but-2-enoic acid CAS Name: (Z)-2-(2,1,3-benzothiadiazol-5-yl)-3-[[3-(cyclopropylmethoxy)-4,5-dimethoxyphenyl]methyl]-4-(4-methoxyphenyl)-4-oxo-2-butenoic acid IUPAC Name: (Z)-2-(2,1,3-benzothiadiazol-5-yl)-3-[[3-(cyclopropylmethoxy)-4,5-dimethoxyphenyl]methyl]-4-(4-methoxyphenyl)-4-oxobut-2-enoic acid Traditional Name: (Z)-3-[3-(cyclopropylmethoxy)-4,5-dimethoxy-benzyl]-4-keto-4-(4-methoxyphenyl)-2-piazthiol-5-yl-but-2-enoic acid Formula: C30H28N2O7S MolecularWeight: 560.61752

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)C(=C(C2=CC3=NSN=C3C=C2)C(=O)O)CC4=CC(=C(C(=C4)OCC5CC5)OC)OC

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)/C(=C(/C2=CC3=NSN=C3C=C2)\C(=O)O)/CC4=CC(=C(C(=C4)OCC5CC5)OC)OC

InChI

InChI=1S/C30H28N2O7S/c1-36-21-9-6-19(7-10-21)28(33)22(27(30(34)35)20-8-11-23-24(15-20)32-40-31-23)12-18-13-25(37-2)29(38-3)26(14-18)39-16-17-4-5-17/h6-11,13-15,17H,4-5,12,16H2,1-3H3,(H,34,35)/b27-22-