ethyl 5-[(5-chloranyl-1-benzofuran-2-yl)carbonylamino]-4-cyano-3-methyl-thiophene-2-carboxylate

Systemtic Name: ethyl 5-[(5-chloranyl-1-benzofuran-2-yl)carbonylamino]-4-cyano-3-methyl-thiophene-2-carboxylate Openeye Name: ethyl 5-[(5-chlorobenzofuran-2-carbonyl)amino]-4-cyano-3-methyl-thiophene-2-carboxylate CAS Name: 5-[[(5-chloro-2-benzofuranyl)-oxomethyl]amino]-4-cyano-3-methyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[(5-chloro-1-benzofuran-2-carbonyl)amino]-4-cyano-3-methylthiophene-2-carboxylate Traditional Name: 5-[(5-chlorobenzofuran-2-carbonyl)amino]-4-cyano-3-methyl-thiophene-2-carboxylic acid ethyl ester Formula: C18H13ClN2O4S MolecularWeight: 388.82482

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)NC(=O)C2=CC3=C(O2)C=CC(=C3)Cl)C#N)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)NC(=O)C2=CC3=C(O2)C=CC(=C3)Cl)C#N)C

InChI

InChI=1S/C18H13ClN2O4S/c1-3-24-18(23)15-9(2)12(8-20)17(26-15)21-16(22)14-7-10-6-11(19)4-5-13(10)25-14/h4-7H,3H2,1-2H3,(H,21,22)