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

Systemtic Name: ethyl 5-azanyl-4-cyano-3-[(2-oxidanyl-2,2-diphenyl-ethanoyl)oxymethyl]thiophene-2-carboxylate Openeye Name: ethyl 5-amino-4-cyano-3-[(2-hydroxy-2,2-diphenyl-acetyl)oxymethyl]thiophene-2-carboxylate CAS Name: 5-amino-4-cyano-3-[(2-hydroxy-1-oxo-2,2-diphenylethoxy)methyl]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-cyano-3-[(2-hydroxy-2,2-diphenylacetyl)oxymethyl]thiophene-2-carboxylate Traditional Name: 5-amino-3-(benziloyloxymethyl)-4-cyano-thiophene-2-carboxylic acid ethyl ester Formula: C23H20N2O5S MolecularWeight: 436.4803

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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)(C3=CC=CC=C3)O

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)COC(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)O

InChI

InChI=1S/C23H20N2O5S/c1-2-29-21(26)19-18(17(13-24)20(25)31-19)14-30-22(27)23(28,15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,28H,2,14,25H2,1H3