ethyl 5-azanyl-4-cyano-3-[2-(2-nitrophenyl)ethanoyloxymethyl]thiophene-2-carboxylate

Systemtic Name: ethyl 5-azanyl-4-cyano-3-[2-(2-nitrophenyl)ethanoyloxymethyl]thiophene-2-carboxylate Openeye Name: ethyl 5-amino-4-cyano-3-[[2-(2-nitrophenyl)acetyl]oxymethyl]thiophene-2-carboxylate CAS Name: 5-amino-4-cyano-3-[[2-(2-nitrophenyl)-1-oxoethoxy]methyl]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-cyano-3-[[2-(2-nitrophenyl)acetyl]oxymethyl]thiophene-2-carboxylate Traditional Name: 5-amino-4-cyano-3-[[2-(2-nitrophenyl)acetyl]oxymethyl]thiophene-2-carboxylic acid ethyl ester Formula: C17H15N3O6S MolecularWeight: 389.3825

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)N)C#N)COC(=O)CC2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)COC(=O)CC2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C17H15N3O6S/c1-2-25-17(22)15-12(11(8-18)16(19)27-15)9-26-14(21)7-10-5-3-4-6-13(10)20(23)24/h3-6H,2,7,9,19H2,1H3