5-[(4-bromanyl-1-cyclopropyl-pyrrol-2-yl)carbonylamino]-3-methyl-thiophene-2-carboxylic acid

Systemtic Name: 5-[(4-bromanyl-1-cyclopropyl-pyrrol-2-yl)carbonylamino]-3-methyl-thiophene-2-carboxylic acid Openeye Name: 5-[(4-bromo-1-cyclopropyl-pyrrole-2-carbonyl)amino]-3-methyl-thiophene-2-carboxylic acid CAS Name: 5-[[(4-bromo-1-cyclopropyl-2-pyrrolyl)-oxomethyl]amino]-3-methyl-2-thiophenecarboxylic acid IUPAC Name: 5-[(4-bromo-1-cyclopropylpyrrole-2-carbonyl)amino]-3-methylthiophene-2-carboxylic acid Traditional Name: 5-[(4-bromo-1-cyclopropyl-pyrrole-2-carbonyl)amino]-3-methyl-2-thenoic acid Formula: C14H13BrN2O3S MolecularWeight: 369.23362

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1)NC(=O)C2=CC(=CN2C3CC3)Br)C(=O)O

Isomeric SMILES

CC1=C(SC(=C1)NC(=O)C2=CC(=CN2C3CC3)Br)C(=O)O

InChI

InChI=1S/C14H13BrN2O3S/c1-7-4-11(21-12(7)14(19)20)16-13(18)10-5-8(15)6-17(10)9-2-3-9/h4-6,9H,2-3H2,1H3,(H,16,18)(H,19,20)