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

Systemtic Name: ethyl 4-cyano-3-methyl-5-(2-phenylbutanoylamino)thiophene-2-carboxylate Openeye Name: ethyl 4-cyano-3-methyl-5-(2-phenylbutanoylamino)thiophene-2-carboxylate CAS Name: 4-cyano-3-methyl-5-[(1-oxo-2-phenylbutyl)amino]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-cyano-3-methyl-5-(2-phenylbutanoylamino)thiophene-2-carboxylate Traditional Name: 4-cyano-3-methyl-5-(2-phenylbutanoylamino)thiophene-2-carboxylic acid ethyl ester Formula: C19H20N2O3S MolecularWeight: 356.4387

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)C(=O)NC2=C(C(=C(S2)C(=O)OCC)C)C#N

Isomeric SMILES

CCC(C1=CC=CC=C1)C(=O)NC2=C(C(=C(S2)C(=O)OCC)C)C#N

InChI

InChI=1S/C19H20N2O3S/c1-4-14(13-9-7-6-8-10-13)17(22)21-18-15(11-20)12(3)16(25-18)19(23)24-5-2/h6-10,14H,4-5H2,1-3H3,(H,21,22)