(3-chlorophenyl)methyl 4-cyano-5-(2-ethylbutanoylamino)-3-methyl-thiophene-2-carboxylate

Systemtic Name: (3-chlorophenyl)methyl 4-cyano-5-(2-ethylbutanoylamino)-3-methyl-thiophene-2-carboxylate Openeye Name: (3-chlorophenyl)methyl 4-cyano-5-(2-ethylbutanoylamino)-3-methyl-thiophene-2-carboxylate CAS Name: 4-cyano-5-[(2-ethyl-1-oxobutyl)amino]-3-methyl-2-thiophenecarboxylic acid (3-chlorophenyl)methyl ester IUPAC Name: (3-chlorophenyl)methyl 4-cyano-5-(2-ethylbutanoylamino)-3-methylthiophene-2-carboxylate Traditional Name: 4-cyano-5-(2-ethylbutanoylamino)-3-methyl-thiophene-2-carboxylic acid (3-chlorobenzyl) ester Formula: C20H21ClN2O3S MolecularWeight: 404.91034

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C(=O)NC1=C(C(=C(S1)C(=O)OCC2=CC(=CC=C2)Cl)C)C#N

Isomeric SMILES

CCC(CC)C(=O)NC1=C(C(=C(S1)C(=O)OCC2=CC(=CC=C2)Cl)C)C#N

InChI

InChI=1S/C20H21ClN2O3S/c1-4-14(5-2)18(24)23-19-16(10-22)12(3)17(27-19)20(25)26-11-13-7-6-8-15(21)9-13/h6-9,14H,4-5,11H2,1-3H3,(H,23,24)