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

Systemtic Name: ethyl 5-(5-chloranylpentanoylamino)-4-cyano-3-methyl-thiophene-2-carboxylate Openeye Name: ethyl 5-(5-chloropentanoylamino)-4-cyano-3-methyl-thiophene-2-carboxylate CAS Name: 5-[(5-chloro-1-oxopentyl)amino]-4-cyano-3-methyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(5-chloropentanoylamino)-4-cyano-3-methylthiophene-2-carboxylate Traditional Name: 5-(5-chloropentanoylamino)-4-cyano-3-methyl-thiophene-2-carboxylic acid ethyl ester Formula: C14H17ClN2O3S MolecularWeight: 328.81438

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17ClN2O3S/c1-3-20-14(19)12-9(2)10(8-16)13(21-12)17-11(18)6-4-5-7-15/h3-7H2,1-2H3,(H,17,18)