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

Systemtic Name: ethyl 5-azanyl-4-cyano-3-[(4-methanoylphenoxy)methyl]thiophene-2-carboxylate Openeye Name: ethyl 5-amino-4-cyano-3-[(4-formylphenoxy)methyl]thiophene-2-carboxylate CAS Name: 5-amino-4-cyano-3-[(4-formylphenoxy)methyl]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-cyano-3-[(4-formylphenoxy)methyl]thiophene-2-carboxylate Traditional Name: 5-amino-4-cyano-3-[(4-formylphenoxy)methyl]thiophene-2-carboxylic acid ethyl ester Formula: C16H14N2O4S MolecularWeight: 330.35836

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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

Isomeric SMILES

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

InChI

InChI=1S/C16H14N2O4S/c1-2-21-16(20)14-13(12(7-17)15(18)23-14)9-22-11-5-3-10(8-19)4-6-11/h3-6,8H,2,9,18H2,1H3