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

Systemtic Name: 2-ethoxycarbonyl-5-[[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]methylsulfanyl]-1,3-benzodioxole-2-carboxylic acid Openeye Name: 2-ethoxycarbonyl-5-[[2-(4-methoxyphenyl)-4-methyl-thiazol-5-yl]methylsulfanyl]-1,3-benzodioxole-2-carboxylic acid CAS Name: 2-ethoxycarbonyl-5-[[2-(4-methoxyphenyl)-4-methyl-5-thiazolyl]methylthio]-1,3-benzodioxole-2-carboxylic acid IUPAC Name: 2-ethoxycarbonyl-5-[[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]methylsulfanyl]-1,3-benzodioxole-2-carboxylic acid Traditional Name: 2-carbethoxy-5-[[2-(4-methoxyphenyl)-4-methyl-thiazol-5-yl]methylthio]-1,3-benzodioxole-2-carboxylic acid Formula: C23H21NO7S2 MolecularWeight: 487.54534

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H21NO7S2/c1-4-29-22(27)23(21(25)26)30-17-10-9-16(11-18(17)31-23)32-12-19-13(2)24-20(33-19)14-5-7-15(28-3)8-6-14/h5-11H,4,12H2,1-3H3,(H,25,26)