ethyl 2-[(4-bromanyl-1H-pyrrol-2-yl)carbonylamino]-5-ethyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[(4-bromanyl-1H-pyrrol-2-yl)carbonylamino]-5-ethyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[(4-bromo-1H-pyrrole-2-carbonyl)amino]-5-ethyl-thiophene-3-carboxylate CAS Name: 2-[[(4-bromo-1H-pyrrol-2-yl)-oxomethyl]amino]-5-ethyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(4-bromo-1H-pyrrole-2-carbonyl)amino]-5-ethylthiophene-3-carboxylate Traditional Name: 2-[(4-bromo-1H-pyrrole-2-carbonyl)amino]-5-ethyl-thiophene-3-carboxylic acid ethyl ester Formula: C14H15BrN2O3S MolecularWeight: 371.2495

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=O)C2=CC(=CN2)Br)C(=O)OCC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=O)C2=CC(=CN2)Br)C(=O)OCC

InChI

InChI=1S/C14H15BrN2O3S/c1-3-9-6-10(14(19)20-4-2)13(21-9)17-12(18)11-5-8(15)7-16-11/h5-7,16H,3-4H2,1-2H3,(H,17,18)