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

Systemtic Name: 2-methoxycarbonyl-5-[(4-methyl-2-naphthalen-2-yl-1,3-thiazol-5-yl)methylsulfanyl]-1,3-benzodioxole-2-carboxylic acid Openeye Name: 2-methoxycarbonyl-5-[[4-methyl-2-(2-naphthyl)thiazol-5-yl]methylsulfanyl]-1,3-benzodioxole-2-carboxylic acid CAS Name: 2-methoxycarbonyl-5-[[4-methyl-2-(2-naphthalenyl)-5-thiazolyl]methylthio]-1,3-benzodioxole-2-carboxylic acid IUPAC Name: 2-methoxycarbonyl-5-[(4-methyl-2-naphthalen-2-yl-1,3-thiazol-5-yl)methylsulfanyl]-1,3-benzodioxole-2-carboxylic acid Traditional Name: 2-carbomethoxy-5-[[4-methyl-2-(2-naphthyl)thiazol-5-yl]methylthio]-1,3-benzodioxole-2-carboxylic acid Formula: C25H19NO6S2 MolecularWeight: 493.55146

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)C2=CC3=CC=CC=C3C=C2)CSC4=CC5=C(C=C4)OC(O5)(C(=O)O)C(=O)OC

Isomeric SMILES

CC1=C(SC(=N1)C2=CC3=CC=CC=C3C=C2)CSC4=CC5=C(C=C4)OC(O5)(C(=O)O)C(=O)OC

InChI

InChI=1S/C25H19NO6S2/c1-14-21(34-22(26-14)17-8-7-15-5-3-4-6-16(15)11-17)13-33-18-9-10-19-20(12-18)32-25(31-19,23(27)28)24(29)30-2/h3-12H,13H2,1-2H3,(H,27,28)