ethyl 5-azanyl-4-cyano-3-[[2-[(4-methoxyphenyl)carbonylamino]-3-methyl-butanoyl]oxymethyl]thiophene-2-carboxylate

Systemtic Name: ethyl 5-azanyl-4-cyano-3-[[2-[(4-methoxyphenyl)carbonylamino]-3-methyl-butanoyl]oxymethyl]thiophene-2-carboxylate Openeye Name: ethyl 5-amino-4-cyano-3-[[2-[(4-methoxybenzoyl)amino]-3-methyl-butanoyl]oxymethyl]thiophene-2-carboxylate CAS Name: 5-amino-4-cyano-3-[[2-[[(4-methoxyphenyl)-oxomethyl]amino]-3-methyl-1-oxobutoxy]methyl]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-cyano-3-[[2-[(4-methoxybenzoyl)amino]-3-methylbutanoyl]oxymethyl]thiophene-2-carboxylate Traditional Name: 5-amino-4-cyano-3-[[3-methyl-2-(p-anisoylamino)butanoyl]oxymethyl]thiophene-2-carboxylic acid ethyl ester Formula: C22H25N3O6S MolecularWeight: 459.5154

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3O6S/c1-5-30-22(28)18-16(15(10-23)19(24)32-18)11-31-21(27)17(12(2)3)25-20(26)13-6-8-14(29-4)9-7-13/h6-9,12,17H,5,11,24H2,1-4H3,(H,25,26)