ethyl 5-azanyl-4-cyano-3-[2-(2-oxidanylideneazepan-1-yl)ethanoyloxymethyl]thiophene-2-carboxylate

Systemtic Name: ethyl 5-azanyl-4-cyano-3-[2-(2-oxidanylideneazepan-1-yl)ethanoyloxymethyl]thiophene-2-carboxylate Openeye Name: ethyl 5-amino-4-cyano-3-[[2-(2-oxoazepan-1-yl)acetyl]oxymethyl]thiophene-2-carboxylate CAS Name: 5-amino-4-cyano-3-[[1-oxo-2-(2-oxo-1-azepanyl)ethoxy]methyl]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-cyano-3-[[2-(2-oxoazepan-1-yl)acetyl]oxymethyl]thiophene-2-carboxylate Traditional Name: 5-amino-4-cyano-3-[[2-(2-ketoazepan-1-yl)acetyl]oxymethyl]thiophene-2-carboxylic acid ethyl ester Formula: C17H21N3O5S MolecularWeight: 379.43074

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)N)C#N)COC(=O)CN2CCCCCC2=O

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)COC(=O)CN2CCCCCC2=O

InChI

InChI=1S/C17H21N3O5S/c1-2-24-17(23)15-12(11(8-18)16(19)26-15)10-25-14(22)9-20-7-5-3-4-6-13(20)21/h2-7,9-10,19H2,1H3