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

Systemtic Name: 5-[[2-(4-bromophenyl)-4-methyl-1,3-thiazol-5-yl]methylsulfanyl]-2-methoxycarbonyl-1,3-benzodioxole-2-carboxylic acid Openeye Name: 5-[[2-(4-bromophenyl)-4-methyl-thiazol-5-yl]methylsulfanyl]-2-methoxycarbonyl-1,3-benzodioxole-2-carboxylic acid CAS Name: 5-[[2-(4-bromophenyl)-4-methyl-5-thiazolyl]methylthio]-2-methoxycarbonyl-1,3-benzodioxole-2-carboxylic acid IUPAC Name: 5-[[2-(4-bromophenyl)-4-methyl-1,3-thiazol-5-yl]methylsulfanyl]-2-methoxycarbonyl-1,3-benzodioxole-2-carboxylic acid Traditional Name: 5-[[2-(4-bromophenyl)-4-methyl-thiazol-5-yl]methylthio]-2-carbomethoxy-1,3-benzodioxole-2-carboxylic acid Formula: C21H16BrNO6S2 MolecularWeight: 522.38884

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H16BrNO6S2/c1-11-17(31-18(23-11)12-3-5-13(22)6-4-12)10-30-14-7-8-15-16(9-14)29-21(28-15,19(24)25)20(26)27-2/h3-9H,10H2,1-2H3,(H,24,25)