ethyl 5-azanyl-4-cyano-3-[2-(3-methyl-4-propan-2-yl-phenoxy)ethanoyloxymethyl]thiophene-2-carboxylate

Systemtic Name: ethyl 5-azanyl-4-cyano-3-[2-(3-methyl-4-propan-2-yl-phenoxy)ethanoyloxymethyl]thiophene-2-carboxylate Openeye Name: ethyl 5-amino-4-cyano-3-[[2-(4-isopropyl-3-methyl-phenoxy)acetyl]oxymethyl]thiophene-2-carboxylate CAS Name: 5-amino-4-cyano-3-[[2-(3-methyl-4-propan-2-ylphenoxy)-1-oxoethoxy]methyl]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-cyano-3-[[2-(3-methyl-4-propan-2-ylphenoxy)acetyl]oxymethyl]thiophene-2-carboxylate Traditional Name: 5-amino-4-cyano-3-[[2-(4-isopropyl-3-methyl-phenoxy)acetyl]oxymethyl]thiophene-2-carboxylic acid ethyl ester Formula: C21H24N2O5S MolecularWeight: 416.49066

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)N)C#N)COC(=O)COC2=CC(=C(C=C2)C(C)C)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)COC(=O)COC2=CC(=C(C=C2)C(C)C)C

InChI

InChI=1S/C21H24N2O5S/c1-5-26-21(25)19-17(16(9-22)20(23)29-19)10-28-18(24)11-27-14-6-7-15(12(2)3)13(4)8-14/h6-8,12H,5,10-11,23H2,1-4H3