(Z)-2-(2,1,3-benzothiadiazol-5-yl)-3-[(3-cyclopentyloxy-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-cyclopentyloxy-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-(cyclopentoxy)-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-cyclopentyloxy-4,5-dimethoxyphenyl)methyl]-4-(4-methoxyphenyl)-4-oxo-2-butenoic acid IUPAC Name: (Z)-2-(2,1,3-benzothiadiazol-5-yl)-3-[(3-cyclopentyloxy-4,5-dimethoxyphenyl)methyl]-4-(4-methoxyphenyl)-4-oxobut-2-enoic acid Traditional Name: (Z)-3-[3-(cyclopentoxy)-4,5-dimethoxy-benzyl]-4-keto-4-(4-methoxyphenyl)-2-piazthiol-5-yl-but-2-enoic acid Formula: C31H30N2O7S MolecularWeight: 574.6441

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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)OC)OC)OC5CCCC5

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)/C(=C(/C2=CC3=NSN=C3C=C2)\C(=O)O)/CC4=CC(=C(C(=C4)OC)OC)OC5CCCC5

InChI

InChI=1S/C31H30N2O7S/c1-37-21-11-8-19(9-12-21)29(34)23(28(31(35)36)20-10-13-24-25(17-20)33-41-32-24)14-18-15-26(38-2)30(39-3)27(16-18)40-22-6-4-5-7-22/h8-13,15-17,22H,4-7,14H2,1-3H3,(H,35,36)/b28-23-