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

Systemtic Name: 2-methoxycarbonyl-5-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methylsulfanyl]-1,3-benzodioxole-2-carboxylic acid Openeye Name: 2-methoxycarbonyl-5-[(4-methyl-2-phenyl-thiazol-5-yl)methylsulfanyl]-1,3-benzodioxole-2-carboxylic acid CAS Name: 2-methoxycarbonyl-5-[(4-methyl-2-phenyl-5-thiazolyl)methylthio]-1,3-benzodioxole-2-carboxylic acid IUPAC Name: 2-methoxycarbonyl-5-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methylsulfanyl]-1,3-benzodioxole-2-carboxylic acid Traditional Name: 2-carbomethoxy-5-[(4-methyl-2-phenyl-thiazol-5-yl)methylthio]-1,3-benzodioxole-2-carboxylic acid Formula: C21H17NO6S2 MolecularWeight: 443.49278

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H17NO6S2/c1-12-17(30-18(22-12)13-6-4-3-5-7-13)11-29-14-8-9-15-16(10-14)28-21(27-15,19(23)24)20(25)26-2/h3-10H,11H2,1-2H3,(H,23,24)