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

Systemtic Name: ethyl 5-azanyl-4-cyano-3-[2-[(3,4-diethoxyphenyl)carbonylamino]ethanoyloxymethyl]thiophene-2-carboxylate Openeye Name: ethyl 5-amino-4-cyano-3-[[2-[(3,4-diethoxybenzoyl)amino]acetyl]oxymethyl]thiophene-2-carboxylate CAS Name: 5-amino-4-cyano-3-[[2-[[(3,4-diethoxyphenyl)-oxomethyl]amino]-1-oxoethoxy]methyl]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-cyano-3-[[2-[(3,4-diethoxybenzoyl)amino]acetyl]oxymethyl]thiophene-2-carboxylate Traditional Name: 5-amino-4-cyano-3-[[2-[(3,4-diethoxybenzoyl)amino]acetyl]oxymethyl]thiophene-2-carboxylic acid ethyl ester Formula: C22H25N3O7S MolecularWeight: 475.5148

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NCC(=O)OCC2=C(SC(=C2C#N)N)C(=O)OCC)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NCC(=O)OCC2=C(SC(=C2C#N)N)C(=O)OCC)OCC

InChI

InChI=1S/C22H25N3O7S/c1-4-29-16-8-7-13(9-17(16)30-5-2)21(27)25-11-18(26)32-12-15-14(10-23)20(24)33-19(15)22(28)31-6-3/h7-9H,4-6,11-12,24H2,1-3H3,(H,25,27)