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

Systemtic Name: ethyl 4-cyano-3-methyl-5-(2-phenoxybutanoylamino)thiophene-2-carboxylate Openeye Name: ethyl 4-cyano-3-methyl-5-(2-phenoxybutanoylamino)thiophene-2-carboxylate CAS Name: 4-cyano-3-methyl-5-[(1-oxo-2-phenoxybutyl)amino]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-cyano-3-methyl-5-(2-phenoxybutanoylamino)thiophene-2-carboxylate Traditional Name: 4-cyano-3-methyl-5-(2-phenoxybutanoylamino)thiophene-2-carboxylic acid ethyl ester Formula: C19H20N2O4S MolecularWeight: 372.4381

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(C(=C(S1)C(=O)OCC)C)C#N)OC2=CC=CC=C2

Isomeric SMILES

CCC(C(=O)NC1=C(C(=C(S1)C(=O)OCC)C)C#N)OC2=CC=CC=C2

InChI

InChI=1S/C19H20N2O4S/c1-4-15(25-13-9-7-6-8-10-13)17(22)21-18-14(11-20)12(3)16(26-18)19(23)24-5-2/h6-10,15H,4-5H2,1-3H3,(H,21,22)