[2-[(3-chloranyl-4-cyano-phenyl)amino]-2-oxidanylidene-ethyl] 5-bromanylthiophene-2-carboxylate

Systemtic Name: [2-[(3-chloranyl-4-cyano-phenyl)amino]-2-oxidanylidene-ethyl] 5-bromanylthiophene-2-carboxylate Openeye Name: [2-(3-chloro-4-cyano-anilino)-2-oxo-ethyl] 5-bromothiophene-2-carboxylate CAS Name: 5-bromo-2-thiophenecarboxylic acid [2-(3-chloro-4-cyanoanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-chloro-4-cyanoanilino)-2-oxoethyl] 5-bromothiophene-2-carboxylate Traditional Name: 5-bromothiophene-2-carboxylic acid [2-(3-chloro-4-cyano-anilino)-2-keto-ethyl] ester Formula: C14H8BrClN2O3S MolecularWeight: 399.64692

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1NC(=O)COC(=O)C2=CC=C(S2)Br)Cl)C#N

Isomeric SMILES

C1=CC(=C(C=C1NC(=O)COC(=O)C2=CC=C(S2)Br)Cl)C#N

InChI

InChI=1S/C14H8BrClN2O3S/c15-12-4-3-11(22-12)14(20)21-7-13(19)18-9-2-1-8(6-17)10(16)5-9/h1-5H,7H2,(H,18,19)