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

Systemtic Name: 5-[[2-(3,5-dimethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]methylsulfanyl]-2-ethoxycarbonyl-1,3-benzodioxole-2-carboxylic acid Openeye Name: 5-[[2-(3,5-dimethoxyphenyl)-4-methyl-thiazol-5-yl]methylsulfanyl]-2-ethoxycarbonyl-1,3-benzodioxole-2-carboxylic acid CAS Name: 5-[[2-(3,5-dimethoxyphenyl)-4-methyl-5-thiazolyl]methylthio]-2-ethoxycarbonyl-1,3-benzodioxole-2-carboxylic acid IUPAC Name: 5-[[2-(3,5-dimethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]methylsulfanyl]-2-ethoxycarbonyl-1,3-benzodioxole-2-carboxylic acid Traditional Name: 2-carbethoxy-5-[[2-(3,5-dimethoxyphenyl)-4-methyl-thiazol-5-yl]methylthio]-1,3-benzodioxole-2-carboxylic acid Formula: C24H23NO8S2 MolecularWeight: 517.57132

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(OC2=C(O1)C=C(C=C2)SCC3=C(N=C(S3)C4=CC(=CC(=C4)OC)OC)C)C(=O)O

Isomeric SMILES

CCOC(=O)C1(OC2=C(O1)C=C(C=C2)SCC3=C(N=C(S3)C4=CC(=CC(=C4)OC)OC)C)C(=O)O

InChI

InChI=1S/C24H23NO8S2/c1-5-31-23(28)24(22(26)27)32-18-7-6-17(11-19(18)33-24)34-12-20-13(2)25-21(35-20)14-8-15(29-3)10-16(9-14)30-4/h6-11H,5,12H2,1-4H3,(H,26,27)