2-([1,3]dioxolo[4,5-f]benzimidazol-7-ylmethyl)-4-methyl-1,3-thiazole-5-carboxylic acid

Systemtic Name: 2-([1,3]dioxolo[4,5-f]benzimidazol-7-ylmethyl)-4-methyl-1,3-thiazole-5-carboxylic acid Openeye Name: 2-([1,3]dioxolo[4,5-f]benzimidazol-7-ylmethyl)-4-methyl-thiazole-5-carboxylic acid CAS Name: 2-([1,3]dioxolo[4,5-f]benzimidazol-7-ylmethyl)-4-methyl-5-thiazolecarboxylic acid IUPAC Name: 2-([1,3]dioxolo[4,5-f]benzimidazol-7-ylmethyl)-4-methyl-1,3-thiazole-5-carboxylic acid Traditional Name: 2-([1,3]dioxolo[4,5-f]benzimidazol-7-ylmethyl)-4-methyl-thiazole-5-carboxylic acid Formula: C14H11N3O4S MolecularWeight: 317.31984

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)CN2C=NC3=CC4=C(C=C32)OCO4)C(=O)O

Isomeric SMILES

CC1=C(SC(=N1)CN2C=NC3=CC4=C(C=C32)OCO4)C(=O)O

InChI

InChI=1S/C14H11N3O4S/c1-7-13(14(18)19)22-12(16-7)4-17-5-15-8-2-10-11(3-9(8)17)21-6-20-10/h2-3,5H,4,6H2,1H3,(H,18,19)