ethyl 5-azanyl-4-cyano-3-[[4-(phenylcarbonyl)phenoxy]methyl]thiophene-2-carboxylate

Systemtic Name: ethyl 5-azanyl-4-cyano-3-[[4-(phenylcarbonyl)phenoxy]methyl]thiophene-2-carboxylate Openeye Name: ethyl 5-amino-3-[(4-benzoylphenoxy)methyl]-4-cyano-thiophene-2-carboxylate CAS Name: 5-amino-3-[(4-benzoylphenoxy)methyl]-4-cyano-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-3-[(4-benzoylphenoxy)methyl]-4-cyanothiophene-2-carboxylate Traditional Name: 5-amino-3-[(4-benzoylphenoxy)methyl]-4-cyano-thiophene-2-carboxylic acid ethyl ester Formula: C22H18N2O4S MolecularWeight: 406.45432

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)N)C#N)COC2=CC=C(C=C2)C(=O)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)COC2=CC=C(C=C2)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H18N2O4S/c1-2-27-22(26)20-18(17(12-23)21(24)29-20)13-28-16-10-8-15(9-11-16)19(25)14-6-4-3-5-7-14/h3-11H,2,13,24H2,1H3