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

Systemtic Name: ethyl 5-azanyl-4-cyano-3-[(4-methylsulfanylphenyl)carbonyloxymethyl]thiophene-2-carboxylate Openeye Name: ethyl 5-amino-4-cyano-3-[(4-methylsulfanylbenzoyl)oxymethyl]thiophene-2-carboxylate CAS Name: 5-amino-4-cyano-3-[[[4-(methylthio)phenyl]-oxomethoxy]methyl]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-cyano-3-[(4-methylsulfanylbenzoyl)oxymethyl]thiophene-2-carboxylate Traditional Name: 5-amino-4-cyano-3-[[4-(methylthio)benzoyl]oxymethyl]thiophene-2-carboxylic acid ethyl ester Formula: C17H16N2O4S2 MolecularWeight: 376.44994

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=C(C=C2)SC

Isomeric SMILES

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

InChI

InChI=1S/C17H16N2O4S2/c1-3-22-17(21)14-13(12(8-18)15(19)25-14)9-23-16(20)10-4-6-11(24-2)7-5-10/h4-7H,3,9,19H2,1-2H3