ethyl 5-azanyl-4-cyano-3-[2-[(phenylmethyl)carbamoylamino]ethanoyloxymethyl]thiophene-2-carboxylate

Systemtic Name: ethyl 5-azanyl-4-cyano-3-[2-[(phenylmethyl)carbamoylamino]ethanoyloxymethyl]thiophene-2-carboxylate Openeye Name: ethyl 5-amino-3-[[2-(benzylcarbamoylamino)acetyl]oxymethyl]-4-cyano-thiophene-2-carboxylate CAS Name: 5-amino-4-cyano-3-[[1-oxo-2-[[oxo-[(phenylmethyl)amino]methyl]amino]ethoxy]methyl]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-3-[[2-(benzylcarbamoylamino)acetyl]oxymethyl]-4-cyanothiophene-2-carboxylate Traditional Name: 5-amino-3-[[2-(benzylcarbamoylamino)acetyl]oxymethyl]-4-cyano-thiophene-2-carboxylic acid ethyl ester Formula: C19H20N4O5S MolecularWeight: 416.4509

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)N)C#N)COC(=O)CNC(=O)NCC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)COC(=O)CNC(=O)NCC2=CC=CC=C2

InChI

InChI=1S/C19H20N4O5S/c1-2-27-18(25)16-14(13(8-20)17(21)29-16)11-28-15(24)10-23-19(26)22-9-12-6-4-3-5-7-12/h3-7H,2,9-11,21H2,1H3,(H2,22,23,26)