ethyl (2S)-2-cyano-3-oxidanylidene-3-[4-(thiophen-2-ylcarbonylamino)phenyl]propanoate

Systemtic Name: ethyl (2S)-2-cyano-3-oxidanylidene-3-[4-(thiophen-2-ylcarbonylamino)phenyl]propanoate Openeye Name: ethyl (2S)-2-cyano-3-oxo-3-[4-(thiophene-2-carbonylamino)phenyl]propanoate CAS Name: (2S)-2-cyano-3-oxo-3-[4-[[oxo(thiophen-2-yl)methyl]amino]phenyl]propanoic acid ethyl ester IUPAC Name: ethyl (2S)-2-cyano-3-oxo-3-[4-(thiophene-2-carbonylamino)phenyl]propanoate Traditional Name: (2S)-2-cyano-3-keto-3-[4-(2-thenoylamino)phenyl]propionic acid ethyl ester Formula: C17H14N2O4S MolecularWeight: 342.36906

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C#N)C(=O)C1=CC=C(C=C1)NC(=O)C2=CC=CS2

Isomeric SMILES

CCOC(=O)[C@@H](C#N)C(=O)C1=CC=C(C=C1)NC(=O)C2=CC=CS2

InChI

InChI=1S/C17H14N2O4S/c1-2-23-17(22)13(10-18)15(20)11-5-7-12(8-6-11)19-16(21)14-4-3-9-24-14/h3-9,13H,2H2,1H3,(H,19,21)/t13-/m0/s1