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

Systemtic Name: ethyl 5-azanyl-4-cyano-3-[[3-methyl-2-(thiophen-2-ylcarbonylamino)butanoyl]oxymethyl]thiophene-2-carboxylate Openeye Name: ethyl 5-amino-4-cyano-3-[[3-methyl-2-(thiophene-2-carbonylamino)butanoyl]oxymethyl]thiophene-2-carboxylate CAS Name: 5-amino-4-cyano-3-[[3-methyl-1-oxo-2-[[oxo(thiophen-2-yl)methyl]amino]butoxy]methyl]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-cyano-3-[[3-methyl-2-(thiophene-2-carbonylamino)butanoyl]oxymethyl]thiophene-2-carboxylate Traditional Name: 5-amino-4-cyano-3-[[3-methyl-2-(2-thenoylamino)butanoyl]oxymethyl]thiophene-2-carboxylic acid ethyl ester Formula: C19H21N3O5S2 MolecularWeight: 435.51714

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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=CS2

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)COC(=O)C(C(C)C)NC(=O)C2=CC=CS2

InChI

InChI=1S/C19H21N3O5S2/c1-4-26-19(25)15-12(11(8-20)16(21)29-15)9-27-18(24)14(10(2)3)22-17(23)13-6-5-7-28-13/h5-7,10,14H,4,9,21H2,1-3H3,(H,22,23)