5-(bromomethyl)-3-[(4-methylphenyl)carbamoylamino]thiophene-2-carboxylic acid

Systemtic Name: 5-(bromomethyl)-3-[(4-methylphenyl)carbamoylamino]thiophene-2-carboxylic acid Openeye Name: 5-(bromomethyl)-3-(p-tolylcarbamoylamino)thiophene-2-carboxylic acid CAS Name: 5-(bromomethyl)-3-[[(4-methylanilino)-oxomethyl]amino]-2-thiophenecarboxylic acid IUPAC Name: 5-(bromomethyl)-3-[(4-methylphenyl)carbamoylamino]thiophene-2-carboxylic acid Traditional Name: 5-(bromomethyl)-3-(p-tolylcarbamoylamino)-2-thenoic acid Formula: C14H13BrN2O3S MolecularWeight: 369.23362

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)NC2=C(SC(=C2)CBr)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)NC2=C(SC(=C2)CBr)C(=O)O

InChI

InChI=1S/C14H13BrN2O3S/c1-8-2-4-9(5-3-8)16-14(20)17-11-6-10(7-15)21-12(11)13(18)19/h2-6H,7H2,1H3,(H,18,19)(H2,16,17,20)