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

Systemtic Name: ethyl 5-azanyl-4-cyano-3-[3-(4-cyanophenyl)propanoyloxymethyl]thiophene-2-carboxylate Openeye Name: ethyl 5-amino-4-cyano-3-[3-(4-cyanophenyl)propanoyloxymethyl]thiophene-2-carboxylate CAS Name: 5-amino-4-cyano-3-[[3-(4-cyanophenyl)-1-oxopropoxy]methyl]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-cyano-3-[3-(4-cyanophenyl)propanoyloxymethyl]thiophene-2-carboxylate Traditional Name: 5-amino-4-cyano-3-[3-(4-cyanophenyl)propanoyloxymethyl]thiophene-2-carboxylic acid ethyl ester Formula: C19H17N3O4S MolecularWeight: 383.42098

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)N)C#N)COC(=O)CCC2=CC=C(C=C2)C#N

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)COC(=O)CCC2=CC=C(C=C2)C#N

InChI

InChI=1S/C19H17N3O4S/c1-2-25-19(24)17-15(14(10-21)18(22)27-17)11-26-16(23)8-7-12-3-5-13(9-20)6-4-12/h3-6H,2,7-8,11,22H2,1H3