5-[(4-bromanyl-2,6-dimethyl-phenyl)carbamoyl]thiophene-2-carboxylic acid

Systemtic Name: 5-[(4-bromanyl-2,6-dimethyl-phenyl)carbamoyl]thiophene-2-carboxylic acid Openeye Name: 5-[(4-bromo-2,6-dimethyl-phenyl)carbamoyl]thiophene-2-carboxylic acid CAS Name: 5-[(4-bromo-2,6-dimethylanilino)-oxomethyl]-2-thiophenecarboxylic acid IUPAC Name: 5-[(4-bromo-2,6-dimethylphenyl)carbamoyl]thiophene-2-carboxylic acid Traditional Name: 5-[(4-bromo-2,6-dimethyl-phenyl)carbamoyl]-2-thenoic acid Formula: C14H12BrNO3S MolecularWeight: 354.21898

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1NC(=O)C2=CC=C(S2)C(=O)O)C)Br

Isomeric SMILES

CC1=CC(=CC(=C1NC(=O)C2=CC=C(S2)C(=O)O)C)Br

InChI

InChI=1S/C14H12BrNO3S/c1-7-5-9(15)6-8(2)12(7)16-13(17)10-3-4-11(20-10)14(18)19/h3-6H,1-2H3,(H,16,17)(H,18,19)