ethyl 4-(5-bromanylthiophen-2-yl)-5-chloranyl-2-(2-cyanoethanoylamino)thiophene-3-carboxylate

Systemtic Name: ethyl 4-(5-bromanylthiophen-2-yl)-5-chloranyl-2-(2-cyanoethanoylamino)thiophene-3-carboxylate Openeye Name: ethyl 4-(5-bromo-2-thienyl)-5-chloro-2-[(2-cyanoacetyl)amino]thiophene-3-carboxylate CAS Name: 4-(5-bromo-2-thiophenyl)-5-chloro-2-[(2-cyano-1-oxoethyl)amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(5-bromothiophen-2-yl)-5-chloro-2-[(2-cyanoacetyl)amino]thiophene-3-carboxylate Traditional Name: 4-(5-bromo-2-thienyl)-5-chloro-2-[(2-cyanoacetyl)amino]thiophene-3-carboxylic acid ethyl ester Formula: C14H10BrClN2O3S2 MolecularWeight: 433.7278

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C2=CC=C(S2)Br)Cl)NC(=O)CC#N

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C2=CC=C(S2)Br)Cl)NC(=O)CC#N

InChI

InChI=1S/C14H10BrClN2O3S2/c1-2-21-14(20)11-10(7-3-4-8(15)22-7)12(16)23-13(11)18-9(19)5-6-17/h3-4H,2,5H2,1H3,(H,18,19)