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

Systemtic Name: ethyl 5-azanyl-4-cyano-3-[2-[(3,4-dimethoxyphenyl)carbonylamino]ethanoyloxymethyl]thiophene-2-carboxylate Openeye Name: ethyl 5-amino-4-cyano-3-[[2-[(3,4-dimethoxybenzoyl)amino]acetyl]oxymethyl]thiophene-2-carboxylate CAS Name: 5-amino-4-cyano-3-[[2-[[(3,4-dimethoxyphenyl)-oxomethyl]amino]-1-oxoethoxy]methyl]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-cyano-3-[[2-[(3,4-dimethoxybenzoyl)amino]acetyl]oxymethyl]thiophene-2-carboxylate Traditional Name: 5-amino-4-cyano-3-[[2-(veratroylamino)acetyl]oxymethyl]thiophene-2-carboxylic acid ethyl ester Formula: C20H21N3O7S MolecularWeight: 447.46164

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O7S/c1-4-29-20(26)17-13(12(8-21)18(22)31-17)10-30-16(24)9-23-19(25)11-5-6-14(27-2)15(7-11)28-3/h5-7H,4,9-10,22H2,1-3H3,(H,23,25)