ethyl 5-azanyl-4-cyano-3-[4-(4-methylphenoxy)butanoyloxymethyl]thiophene-2-carboxylate

Systemtic Name: ethyl 5-azanyl-4-cyano-3-[4-(4-methylphenoxy)butanoyloxymethyl]thiophene-2-carboxylate Openeye Name: ethyl 5-amino-4-cyano-3-[4-(4-methylphenoxy)butanoyloxymethyl]thiophene-2-carboxylate CAS Name: 5-amino-4-cyano-3-[[4-(4-methylphenoxy)-1-oxobutoxy]methyl]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-cyano-3-[4-(4-methylphenoxy)butanoyloxymethyl]thiophene-2-carboxylate Traditional Name: 5-amino-4-cyano-3-[4-(4-methylphenoxy)butanoyloxymethyl]thiophene-2-carboxylic acid ethyl ester Formula: C20H22N2O5S MolecularWeight: 402.46408

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)N)C#N)COC(=O)CCCOC2=CC=C(C=C2)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)COC(=O)CCCOC2=CC=C(C=C2)C

InChI

InChI=1S/C20H22N2O5S/c1-3-25-20(24)18-16(15(11-21)19(22)28-18)12-27-17(23)5-4-10-26-14-8-6-13(2)7-9-14/h6-9H,3-5,10,12,22H2,1-2H3