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

Systemtic Name: 2-methoxycarbonyl-5-[(4-methyl-2-thiophen-3-yl-1,3-thiazol-5-yl)methylsulfanyl]-1,3-benzodioxole-2-carboxylic acid Openeye Name: 2-methoxycarbonyl-5-[[4-methyl-2-(3-thienyl)thiazol-5-yl]methylsulfanyl]-1,3-benzodioxole-2-carboxylic acid CAS Name: 2-methoxycarbonyl-5-[[4-methyl-2-(3-thiophenyl)-5-thiazolyl]methylthio]-1,3-benzodioxole-2-carboxylic acid IUPAC Name: 2-methoxycarbonyl-5-[(4-methyl-2-thiophen-3-yl-1,3-thiazol-5-yl)methylsulfanyl]-1,3-benzodioxole-2-carboxylic acid Traditional Name: 2-carbomethoxy-5-[[4-methyl-2-(3-thienyl)thiazol-5-yl]methylthio]-1,3-benzodioxole-2-carboxylic acid Formula: C19H15NO6S3 MolecularWeight: 449.5205

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H15NO6S3/c1-10-15(29-16(20-10)11-5-6-27-8-11)9-28-12-3-4-13-14(7-12)26-19(25-13,17(21)22)18(23)24-2/h3-8H,9H2,1-2H3,(H,21,22)