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

Systemtic Name: 2-ethoxycarbonyl-5-[(4-methyl-2-naphthalen-2-yl-1,3-thiazol-5-yl)methylsulfanyl]-1,3-benzodioxole-2-carboxylic acid Openeye Name: 2-ethoxycarbonyl-5-[[4-methyl-2-(2-naphthyl)thiazol-5-yl]methylsulfanyl]-1,3-benzodioxole-2-carboxylic acid CAS Name: 2-ethoxycarbonyl-5-[[4-methyl-2-(2-naphthalenyl)-5-thiazolyl]methylthio]-1,3-benzodioxole-2-carboxylic acid IUPAC Name: 2-ethoxycarbonyl-5-[(4-methyl-2-naphthalen-2-yl-1,3-thiazol-5-yl)methylsulfanyl]-1,3-benzodioxole-2-carboxylic acid Traditional Name: 2-carbethoxy-5-[[4-methyl-2-(2-naphthyl)thiazol-5-yl]methylthio]-1,3-benzodioxole-2-carboxylic acid Formula: C26H21NO6S2 MolecularWeight: 507.57804

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=CC5=CC=CC=C5C=C4)C)C(=O)O

Isomeric SMILES

CCOC(=O)C1(OC2=C(O1)C=C(C=C2)SCC3=C(N=C(S3)C4=CC5=CC=CC=C5C=C4)C)C(=O)O

InChI

InChI=1S/C26H21NO6S2/c1-3-31-25(30)26(24(28)29)32-20-11-10-19(13-21(20)33-26)34-14-22-15(2)27-23(35-22)18-9-8-16-6-4-5-7-17(16)12-18/h4-13H,3,14H2,1-2H3,(H,28,29)