ethyl 5-bromanyl-2-(2-chloranylethanoylamino)-4-(4-methylphenyl)thiophene-3-carboxylate

Systemtic Name: ethyl 5-bromanyl-2-(2-chloranylethanoylamino)-4-(4-methylphenyl)thiophene-3-carboxylate Openeye Name: ethyl 5-bromo-2-[(2-chloroacetyl)amino]-4-(p-tolyl)thiophene-3-carboxylate CAS Name: 5-bromo-2-[(2-chloro-1-oxoethyl)amino]-4-(4-methylphenyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-bromo-2-[(2-chloroacetyl)amino]-4-(4-methylphenyl)thiophene-3-carboxylate Traditional Name: 5-bromo-2-[(2-chloroacetyl)amino]-4-(p-tolyl)thiophene-3-carboxylic acid ethyl ester Formula: C16H15BrClNO3S MolecularWeight: 416.7172

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C2=CC=C(C=C2)C)Br)NC(=O)CCl

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C2=CC=C(C=C2)C)Br)NC(=O)CCl

InChI

InChI=1S/C16H15BrClNO3S/c1-3-22-16(21)13-12(10-6-4-9(2)5-7-10)14(17)23-15(13)19-11(20)8-18/h4-7H,3,8H2,1-2H3,(H,19,20)