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

Systemtic Name: ethyl 5-azanyl-4-cyano-3-[[3-methyl-2-[(3-methylphenyl)carbonylamino]butanoyl]oxymethyl]thiophene-2-carboxylate Openeye Name: ethyl 5-amino-4-cyano-3-[[3-methyl-2-[(3-methylbenzoyl)amino]butanoyl]oxymethyl]thiophene-2-carboxylate CAS Name: 5-amino-4-cyano-3-[[3-methyl-2-[[(3-methylphenyl)-oxomethyl]amino]-1-oxobutoxy]methyl]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-cyano-3-[[3-methyl-2-[(3-methylbenzoyl)amino]butanoyl]oxymethyl]thiophene-2-carboxylate Traditional Name: 5-amino-4-cyano-3-[[3-methyl-2-(m-toluoylamino)butanoyl]oxymethyl]thiophene-2-carboxylic acid ethyl ester Formula: C22H25N3O5S MolecularWeight: 443.516

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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(=CC=C2)C

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3O5S/c1-5-29-22(28)18-16(15(10-23)19(24)31-18)11-30-21(27)17(12(2)3)25-20(26)14-8-6-7-13(4)9-14/h6-9,12,17H,5,11,24H2,1-4H3,(H,25,26)