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

Systemtic Name: ethyl 5-azanyl-4-cyano-3-[(4-cyanophenoxy)methyl]thiophene-2-carboxylate Openeye Name: ethyl 5-amino-4-cyano-3-[(4-cyanophenoxy)methyl]thiophene-2-carboxylate CAS Name: 5-amino-4-cyano-3-[(4-cyanophenoxy)methyl]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-cyano-3-[(4-cyanophenoxy)methyl]thiophene-2-carboxylate Traditional Name: 5-amino-4-cyano-3-[(4-cyanophenoxy)methyl]thiophene-2-carboxylic acid ethyl ester Formula: C16H13N3O3S MolecularWeight: 327.35772

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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#N

Isomeric SMILES

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

InChI

InChI=1S/C16H13N3O3S/c1-2-21-16(20)14-13(12(8-18)15(19)23-14)9-22-11-5-3-10(7-17)4-6-11/h3-6H,2,9,19H2,1H3