ethyl 5-azanyl-4-cyano-3-[2-(4-phenylphenyl)ethanoyloxymethyl]thiophene-2-carboxylate

Systemtic Name: ethyl 5-azanyl-4-cyano-3-[2-(4-phenylphenyl)ethanoyloxymethyl]thiophene-2-carboxylate Openeye Name: ethyl 5-amino-4-cyano-3-[[2-(4-phenylphenyl)acetyl]oxymethyl]thiophene-2-carboxylate CAS Name: 5-amino-4-cyano-3-[[1-oxo-2-(4-phenylphenyl)ethoxy]methyl]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-cyano-3-[[2-(4-phenylphenyl)acetyl]oxymethyl]thiophene-2-carboxylate Traditional Name: 5-amino-4-cyano-3-[[2-(4-phenylphenyl)acetyl]oxymethyl]thiophene-2-carboxylic acid ethyl ester Formula: C23H20N2O4S MolecularWeight: 420.4809

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)N)C#N)COC(=O)CC2=CC=C(C=C2)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)COC(=O)CC2=CC=C(C=C2)C3=CC=CC=C3

InChI

InChI=1S/C23H20N2O4S/c1-2-28-23(27)21-19(18(13-24)22(25)30-21)14-29-20(26)12-15-8-10-17(11-9-15)16-6-4-3-5-7-16/h3-11H,2,12,14,25H2,1H3