ethyl 5-azanyl-3-[[2,3-bis(chloranyl)phenyl]carbonyloxymethyl]-4-cyano-thiophene-2-carboxylate

Systemtic Name: ethyl 5-azanyl-3-[[2,3-bis(chloranyl)phenyl]carbonyloxymethyl]-4-cyano-thiophene-2-carboxylate Openeye Name: ethyl 5-amino-4-cyano-3-[(2,3-dichlorobenzoyl)oxymethyl]thiophene-2-carboxylate CAS Name: 5-amino-4-cyano-3-[[(2,3-dichlorophenyl)-oxomethoxy]methyl]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-cyano-3-[(2,3-dichlorobenzoyl)oxymethyl]thiophene-2-carboxylate Traditional Name: 5-amino-4-cyano-3-[(2,3-dichlorobenzoyl)oxymethyl]thiophene-2-carboxylic acid ethyl ester Formula: C16H12Cl2N2O4S MolecularWeight: 399.24848

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H12Cl2N2O4S/c1-2-23-16(22)13-10(9(6-19)14(20)25-13)7-24-15(21)8-4-3-5-11(17)12(8)18/h3-5H,2,7,20H2,1H3