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

Systemtic Name: ethyl 5-azanyl-3-[[2-[(4-chlorophenyl)carbonylamino]-4-methyl-pentanoyl]oxymethyl]-4-cyano-thiophene-2-carboxylate Openeye Name: ethyl 5-amino-3-[[2-[(4-chlorobenzoyl)amino]-4-methyl-pentanoyl]oxymethyl]-4-cyano-thiophene-2-carboxylate CAS Name: 5-amino-3-[[2-[[(4-chlorophenyl)-oxomethyl]amino]-4-methyl-1-oxopentoxy]methyl]-4-cyano-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-3-[[2-[(4-chlorobenzoyl)amino]-4-methylpentanoyl]oxymethyl]-4-cyanothiophene-2-carboxylate Traditional Name: 5-amino-3-[[2-[(4-chlorobenzoyl)amino]-4-methyl-pentanoyl]oxymethyl]-4-cyano-thiophene-2-carboxylic acid ethyl ester Formula: C22H24ClN3O5S MolecularWeight: 477.96106

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24ClN3O5S/c1-4-30-22(29)18-16(15(10-24)19(25)32-18)11-31-21(28)17(9-12(2)3)26-20(27)13-5-7-14(23)8-6-13/h5-8,12,17H,4,9,11,25H2,1-3H3,(H,26,27)