(Z)-4-(1,3-benzodioxol-5-yl)-2-(2,1,3-benzothiadiazol-5-yl)-3-(cyclohexylmethyl)-4-oxidanylidene-but-2-enoic acid

Systemtic Name: (Z)-4-(1,3-benzodioxol-5-yl)-2-(2,1,3-benzothiadiazol-5-yl)-3-(cyclohexylmethyl)-4-oxidanylidene-but-2-enoic acid Openeye Name: (Z)-4-(1,3-benzodioxol-5-yl)-2-(2,1,3-benzothiadiazol-5-yl)-3-(cyclohexylmethyl)-4-oxo-but-2-enoic acid CAS Name: (Z)-4-(1,3-benzodioxol-5-yl)-2-(2,1,3-benzothiadiazol-5-yl)-3-(cyclohexylmethyl)-4-oxo-2-butenoic acid IUPAC Name: (Z)-4-(1,3-benzodioxol-5-yl)-2-(2,1,3-benzothiadiazol-5-yl)-3-(cyclohexylmethyl)-4-oxobut-2-enoic acid Traditional Name: (Z)-4-(1,3-benzodioxol-5-yl)-3-(cyclohexylmethyl)-4-keto-2-piazthiol-5-yl-but-2-enoic acid Formula: C24H22N2O5S MolecularWeight: 450.50688

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CC(=C(C2=CC3=NSN=C3C=C2)C(=O)O)C(=O)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CCC(CC1)C/C(=C(\C2=CC3=NSN=C3C=C2)/C(=O)O)/C(=O)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C24H22N2O5S/c27-23(16-7-9-20-21(12-16)31-13-30-20)17(10-14-4-2-1-3-5-14)22(24(28)29)15-6-8-18-19(11-15)26-32-25-18/h6-9,11-12,14H,1-5,10,13H2,(H,28,29)/b22-17-