5-[2-(3-bromanylphenoxy)ethanoylamino]-3-methyl-thiophene-2-carboxylic acid

Systemtic Name: 5-[2-(3-bromanylphenoxy)ethanoylamino]-3-methyl-thiophene-2-carboxylic acid Openeye Name: 5-[[2-(3-bromophenoxy)acetyl]amino]-3-methyl-thiophene-2-carboxylic acid CAS Name: 5-[[2-(3-bromophenoxy)-1-oxoethyl]amino]-3-methyl-2-thiophenecarboxylic acid IUPAC Name: 5-[[2-(3-bromophenoxy)acetyl]amino]-3-methylthiophene-2-carboxylic acid Traditional Name: 5-[[2-(3-bromophenoxy)acetyl]amino]-3-methyl-2-thenoic acid Formula: C14H12BrNO4S MolecularWeight: 370.21838

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1)NC(=O)COC2=CC(=CC=C2)Br)C(=O)O

Isomeric SMILES

CC1=C(SC(=C1)NC(=O)COC2=CC(=CC=C2)Br)C(=O)O

InChI

InChI=1S/C14H12BrNO4S/c1-8-5-12(21-13(8)14(18)19)16-11(17)7-20-10-4-2-3-9(15)6-10/h2-6H,7H2,1H3,(H,16,17)(H,18,19)