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

Systemtic Name: ethyl 4-cyano-3-methyl-5-(3-phenylpropanoylamino)thiophene-2-carboxylate Openeye Name: ethyl 4-cyano-3-methyl-5-(3-phenylpropanoylamino)thiophene-2-carboxylate CAS Name: 4-cyano-3-methyl-5-[(1-oxo-3-phenylpropyl)amino]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-cyano-3-methyl-5-(3-phenylpropanoylamino)thiophene-2-carboxylate Traditional Name: 4-cyano-5-(hydrocinnamoylamino)-3-methyl-thiophene-2-carboxylic acid ethyl ester Formula: C18H18N2O3S MolecularWeight: 342.41212

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)NC(=O)CCC2=CC=CC=C2)C#N)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)NC(=O)CCC2=CC=CC=C2)C#N)C

InChI

InChI=1S/C18H18N2O3S/c1-3-23-18(22)16-12(2)14(11-19)17(24-16)20-15(21)10-9-13-7-5-4-6-8-13/h4-8H,3,9-10H2,1-2H3,(H,20,21)