ethyl 5-(4-chlorophenyl)-3-(2-cyanoethanoylamino)thiophene-2-carboxylate

Systemtic Name: ethyl 5-(4-chlorophenyl)-3-(2-cyanoethanoylamino)thiophene-2-carboxylate Openeye Name: ethyl 5-(4-chlorophenyl)-3-[(2-cyanoacetyl)amino]thiophene-2-carboxylate CAS Name: 5-(4-chlorophenyl)-3-[(2-cyano-1-oxoethyl)amino]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(4-chlorophenyl)-3-[(2-cyanoacetyl)amino]thiophene-2-carboxylate Traditional Name: 5-(4-chlorophenyl)-3-[(2-cyanoacetyl)amino]thiophene-2-carboxylic acid ethyl ester Formula: C16H13ClN2O3S MolecularWeight: 348.80402

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C(S1)C2=CC=C(C=C2)Cl)NC(=O)CC#N

Isomeric SMILES

CCOC(=O)C1=C(C=C(S1)C2=CC=C(C=C2)Cl)NC(=O)CC#N

InChI

InChI=1S/C16H13ClN2O3S/c1-2-22-16(21)15-12(19-14(20)7-8-18)9-13(23-15)10-3-5-11(17)6-4-10/h3-6,9H,2,7H2,1H3,(H,19,20)