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

Systemtic Name: ethyl 5-azanyl-4-cyano-3-[4-(4-methoxyphenoxy)butanoyloxymethyl]thiophene-2-carboxylate Openeye Name: ethyl 5-amino-4-cyano-3-[4-(4-methoxyphenoxy)butanoyloxymethyl]thiophene-2-carboxylate CAS Name: 5-amino-4-cyano-3-[[4-(4-methoxyphenoxy)-1-oxobutoxy]methyl]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-cyano-3-[4-(4-methoxyphenoxy)butanoyloxymethyl]thiophene-2-carboxylate Traditional Name: 5-amino-4-cyano-3-[4-(4-methoxyphenoxy)butanoyloxymethyl]thiophene-2-carboxylic acid ethyl ester Formula: C20H22N2O6S MolecularWeight: 418.46348

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O6S/c1-3-26-20(24)18-16(15(11-21)19(22)29-18)12-28-17(23)5-4-10-27-14-8-6-13(25-2)7-9-14/h6-9H,3-5,10,12,22H2,1-2H3