5-[7-(3-methyl-1,2-oxazol-5-yl)heptoxy]thiophene-2-carboxylic acid

Systemtic Name: 5-[7-(3-methyl-1,2-oxazol-5-yl)heptoxy]thiophene-2-carboxylic acid Openeye Name: 5-[7-(3-methylisoxazol-5-yl)heptoxy]thiophene-2-carboxylic acid CAS Name: 5-[7-(3-methyl-5-isoxazolyl)heptoxy]-2-thiophenecarboxylic acid IUPAC Name: 5-[7-(3-methyl-1,2-oxazol-5-yl)heptoxy]thiophene-2-carboxylic acid Traditional Name: 5-[7-(3-methylisoxazol-5-yl)heptoxy]-2-thenoic acid Formula: C16H21NO4S MolecularWeight: 323.40724

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC(=C1)CCCCCCCOC2=CC=C(S2)C(=O)O

Isomeric SMILES

CC1=NOC(=C1)CCCCCCCOC2=CC=C(S2)C(=O)O

InChI

InChI=1S/C16H21NO4S/c1-12-11-13(21-17-12)7-5-3-2-4-6-10-20-15-9-8-14(22-15)16(18)19/h8-9,11H,2-7,10H2,1H3,(H,18,19)