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

Systemtic Name: ethyl 5-azanyl-4-cyano-3-[2-[(3,5-dimethylphenyl)carbonylamino]ethanoyloxymethyl]thiophene-2-carboxylate Openeye Name: ethyl 5-amino-4-cyano-3-[[2-[(3,5-dimethylbenzoyl)amino]acetyl]oxymethyl]thiophene-2-carboxylate CAS Name: 5-amino-4-cyano-3-[[2-[[(3,5-dimethylphenyl)-oxomethyl]amino]-1-oxoethoxy]methyl]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-cyano-3-[[2-[(3,5-dimethylbenzoyl)amino]acetyl]oxymethyl]thiophene-2-carboxylate Traditional Name: 5-amino-4-cyano-3-[[2-[(3,5-dimethylbenzoyl)amino]acetyl]oxymethyl]thiophene-2-carboxylic acid ethyl ester Formula: C20H21N3O5S MolecularWeight: 415.46284

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O5S/c1-4-27-20(26)17-15(14(8-21)18(22)29-17)10-28-16(24)9-23-19(25)13-6-11(2)5-12(3)7-13/h5-7H,4,9-10,22H2,1-3H3,(H,23,25)