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

Systemtic Name: ethyl 5-azanyl-4-cyano-3-[[4-(2-methylpropoxy)phenyl]carbonyloxymethyl]thiophene-2-carboxylate Openeye Name: ethyl 5-amino-4-cyano-3-[(4-isobutoxybenzoyl)oxymethyl]thiophene-2-carboxylate CAS Name: 5-amino-4-cyano-3-[[[4-(2-methylpropoxy)phenyl]-oxomethoxy]methyl]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-cyano-3-[[4-(2-methylpropoxy)benzoyl]oxymethyl]thiophene-2-carboxylate Traditional Name: 5-amino-4-cyano-3-[(4-isobutoxybenzoyl)oxymethyl]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)C2=CC=C(C=C2)OCC(C)C

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O5S/c1-4-25-20(24)17-16(15(9-21)18(22)28-17)11-27-19(23)13-5-7-14(8-6-13)26-10-12(2)3/h5-8,12H,4,10-11,22H2,1-3H3