ethyl 5-azanyl-4-cyano-3-(4-phenoxybutanoyloxymethyl)thiophene-2-carboxylate

Systemtic Name: ethyl 5-azanyl-4-cyano-3-(4-phenoxybutanoyloxymethyl)thiophene-2-carboxylate Openeye Name: ethyl 5-amino-4-cyano-3-(4-phenoxybutanoyloxymethyl)thiophene-2-carboxylate CAS Name: 5-amino-4-cyano-3-[(1-oxo-4-phenoxybutoxy)methyl]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-cyano-3-(4-phenoxybutanoyloxymethyl)thiophene-2-carboxylate Traditional Name: 5-amino-4-cyano-3-(4-phenoxybutanoyloxymethyl)thiophene-2-carboxylic acid ethyl ester Formula: C19H20N2O5S MolecularWeight: 388.4375

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)N)C#N)COC(=O)CCCOC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)COC(=O)CCCOC2=CC=CC=C2

InChI

InChI=1S/C19H20N2O5S/c1-2-24-19(23)17-15(14(11-20)18(21)27-17)12-26-16(22)9-6-10-25-13-7-4-3-5-8-13/h3-5,7-8H,2,6,9-10,12,21H2,1H3