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

Systemtic Name: ethyl 5-azanyl-4-cyano-3-[[4-(4-cyanophenyl)phenoxy]methyl]thiophene-2-carboxylate Openeye Name: ethyl 5-amino-4-cyano-3-[[4-(4-cyanophenyl)phenoxy]methyl]thiophene-2-carboxylate CAS Name: 5-amino-4-cyano-3-[[4-(4-cyanophenyl)phenoxy]methyl]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-cyano-3-[[4-(4-cyanophenyl)phenoxy]methyl]thiophene-2-carboxylate Traditional Name: 5-amino-4-cyano-3-[[4-(4-cyanophenyl)phenoxy]methyl]thiophene-2-carboxylic acid ethyl ester Formula: C22H17N3O3S MolecularWeight: 403.45368

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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)C3=CC=C(C=C3)C#N

Isomeric SMILES

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

InChI

InChI=1S/C22H17N3O3S/c1-2-27-22(26)20-19(18(12-24)21(25)29-20)13-28-17-9-7-16(8-10-17)15-5-3-14(11-23)4-6-15/h3-10H,2,13,25H2,1H3