2-(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-4-methyl-1,3-thiazole-5-carboxylic acid

Systemtic Name: 2-(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-4-methyl-1,3-thiazole-5-carboxylic acid Openeye Name: 2-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-4-methyl-thiazole-5-carboxylic acid CAS Name: 2-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-4-methyl-5-thiazolecarboxylic acid IUPAC Name: 2-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-4-methyl-1,3-thiazole-5-carboxylic acid Traditional Name: 2-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-4-methyl-thiazole-5-carboxylic acid Formula: C14H12ClNO4S MolecularWeight: 325.76738

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)C2=CC3=C(C(=C2)Cl)OCCCO3)C(=O)O

Isomeric SMILES

CC1=C(SC(=N1)C2=CC3=C(C(=C2)Cl)OCCCO3)C(=O)O

InChI

InChI=1S/C14H12ClNO4S/c1-7-12(14(17)18)21-13(16-7)8-5-9(15)11-10(6-8)19-3-2-4-20-11/h5-6H,2-4H2,1H3,(H,17,18)