ethyl 5-azanyl-4-cyano-3-[[(2S)-2-oxidanyl-2-phenyl-ethanoyl]oxymethyl]thiophene-2-carboxylate

Systemtic Name: ethyl 5-azanyl-4-cyano-3-[[(2S)-2-oxidanyl-2-phenyl-ethanoyl]oxymethyl]thiophene-2-carboxylate Openeye Name: ethyl 5-amino-4-cyano-3-[[(2S)-2-hydroxy-2-phenyl-acetyl]oxymethyl]thiophene-2-carboxylate CAS Name: 5-amino-4-cyano-3-[[(2S)-2-hydroxy-1-oxo-2-phenylethoxy]methyl]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-cyano-3-[[(2S)-2-hydroxy-2-phenylacetyl]oxymethyl]thiophene-2-carboxylate Traditional Name: 5-amino-4-cyano-3-[[(2S)-2-hydroxy-2-phenyl-acetyl]oxymethyl]thiophene-2-carboxylic acid ethyl ester Formula: C17H16N2O5S MolecularWeight: 360.38434

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)COC(=O)[C@H](C2=CC=CC=C2)O

InChI

InChI=1S/C17H16N2O5S/c1-2-23-17(22)14-12(11(8-18)15(19)25-14)9-24-16(21)13(20)10-6-4-3-5-7-10/h3-7,13,20H,2,9,19H2,1H3/t13-/m0/s1