5-[[2-(3,5-dimethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]methylsulfanyl]-2-methoxycarbonyl-1,3-benzodioxole-2-carboxylic acid

Systemtic Name: 5-[[2-(3,5-dimethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]methylsulfanyl]-2-methoxycarbonyl-1,3-benzodioxole-2-carboxylic acid Openeye Name: 5-[[2-(3,5-dimethoxyphenyl)-4-methyl-thiazol-5-yl]methylsulfanyl]-2-methoxycarbonyl-1,3-benzodioxole-2-carboxylic acid CAS Name: 5-[[2-(3,5-dimethoxyphenyl)-4-methyl-5-thiazolyl]methylthio]-2-methoxycarbonyl-1,3-benzodioxole-2-carboxylic acid IUPAC Name: 5-[[2-(3,5-dimethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]methylsulfanyl]-2-methoxycarbonyl-1,3-benzodioxole-2-carboxylic acid Traditional Name: 2-carbomethoxy-5-[[2-(3,5-dimethoxyphenyl)-4-methyl-thiazol-5-yl]methylthio]-1,3-benzodioxole-2-carboxylic acid Formula: C23H21NO8S2 MolecularWeight: 503.54474

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)C2=CC(=CC(=C2)OC)OC)CSC3=CC4=C(C=C3)OC(O4)(C(=O)O)C(=O)OC

Isomeric SMILES

CC1=C(SC(=N1)C2=CC(=CC(=C2)OC)OC)CSC3=CC4=C(C=C3)OC(O4)(C(=O)O)C(=O)OC

InChI

InChI=1S/C23H21NO8S2/c1-12-19(34-20(24-12)13-7-14(28-2)9-15(8-13)29-3)11-33-16-5-6-17-18(10-16)32-23(31-17,21(25)26)22(27)30-4/h5-10H,11H2,1-4H3,(H,25,26)