ethyl 5-azanyl-4-cyano-3-[(2-iodanylphenyl)carbonyloxymethyl]thiophene-2-carboxylate

Systemtic Name: ethyl 5-azanyl-4-cyano-3-[(2-iodanylphenyl)carbonyloxymethyl]thiophene-2-carboxylate Openeye Name: ethyl 5-amino-4-cyano-3-[(2-iodobenzoyl)oxymethyl]thiophene-2-carboxylate CAS Name: 5-amino-4-cyano-3-[[(2-iodophenyl)-oxomethoxy]methyl]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-cyano-3-[(2-iodobenzoyl)oxymethyl]thiophene-2-carboxylate Traditional Name: 5-amino-4-cyano-3-[(2-iodobenzoyl)oxymethyl]thiophene-2-carboxylic acid ethyl ester Formula: C16H13IN2O4S MolecularWeight: 456.25489

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=CC=CC=C2I

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)COC(=O)C2=CC=CC=C2I

InChI

InChI=1S/C16H13IN2O4S/c1-2-22-16(21)13-11(10(7-18)14(19)24-13)8-23-15(20)9-5-3-4-6-12(9)17/h3-6H,2,8,19H2,1H3