ethyl 5-(2-chloranylpropanoylamino)-4-cyano-3-methyl-thiophene-2-carboxylate

Systemtic Name: ethyl 5-(2-chloranylpropanoylamino)-4-cyano-3-methyl-thiophene-2-carboxylate Openeye Name: ethyl 5-(2-chloropropanoylamino)-4-cyano-3-methyl-thiophene-2-carboxylate CAS Name: 5-[(2-chloro-1-oxopropyl)amino]-4-cyano-3-methyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(2-chloropropanoylamino)-4-cyano-3-methylthiophene-2-carboxylate Traditional Name: 5-(2-chloropropanoylamino)-4-cyano-3-methyl-thiophene-2-carboxylic acid ethyl ester Formula: C12H13ClN2O3S MolecularWeight: 300.76122

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13ClN2O3S/c1-4-18-12(17)9-6(2)8(5-14)11(19-9)15-10(16)7(3)13/h7H,4H2,1-3H3,(H,15,16)