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

Systemtic Name: ethyl 5-azanyl-4-cyano-3-[(4-cyanophenyl)carbonyloxymethyl]thiophene-2-carboxylate Openeye Name: ethyl 5-amino-4-cyano-3-[(4-cyanobenzoyl)oxymethyl]thiophene-2-carboxylate CAS Name: 5-amino-4-cyano-3-[[(4-cyanophenyl)-oxomethoxy]methyl]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-cyano-3-[(4-cyanobenzoyl)oxymethyl]thiophene-2-carboxylate Traditional Name: 5-amino-4-cyano-3-[(4-cyanobenzoyl)oxymethyl]thiophene-2-carboxylic acid ethyl ester Formula: C17H13N3O4S MolecularWeight: 355.36782

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H13N3O4S/c1-2-23-17(22)14-13(12(8-19)15(20)25-14)9-24-16(21)11-5-3-10(7-18)4-6-11/h3-6H,2,9,20H2,1H3