ethyl 5-azanyl-4-cyano-3-[2-[(4-propan-2-yloxyphenyl)carbonylamino]ethanoyloxymethyl]thiophene-2-carboxylate

Systemtic Name: ethyl 5-azanyl-4-cyano-3-[2-[(4-propan-2-yloxyphenyl)carbonylamino]ethanoyloxymethyl]thiophene-2-carboxylate Openeye Name: ethyl 5-amino-4-cyano-3-[[2-[(4-isopropoxybenzoyl)amino]acetyl]oxymethyl]thiophene-2-carboxylate CAS Name: 5-amino-4-cyano-3-[[1-oxo-2-[[oxo-(4-propan-2-yloxyphenyl)methyl]amino]ethoxy]methyl]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-cyano-3-[[2-[(4-propan-2-yloxybenzoyl)amino]acetyl]oxymethyl]thiophene-2-carboxylate Traditional Name: 5-amino-4-cyano-3-[[2-[(4-isopropoxybenzoyl)amino]acetyl]oxymethyl]thiophene-2-carboxylic acid ethyl ester Formula: C21H23N3O6S MolecularWeight: 445.48882

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O6S/c1-4-28-21(27)18-16(15(9-22)19(23)31-18)11-29-17(25)10-24-20(26)13-5-7-14(8-6-13)30-12(2)3/h5-8,12H,4,10-11,23H2,1-3H3,(H,24,26)