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

Systemtic Name: ethyl 5-azanyl-4-cyano-3-[2-[(3-methylphenyl)carbonylamino]ethanoyloxymethyl]thiophene-2-carboxylate Openeye Name: ethyl 5-amino-4-cyano-3-[[2-[(3-methylbenzoyl)amino]acetyl]oxymethyl]thiophene-2-carboxylate CAS Name: 5-amino-4-cyano-3-[[2-[[(3-methylphenyl)-oxomethyl]amino]-1-oxoethoxy]methyl]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-cyano-3-[[2-[(3-methylbenzoyl)amino]acetyl]oxymethyl]thiophene-2-carboxylate Traditional Name: 5-amino-4-cyano-3-[[2-(m-toluoylamino)acetyl]oxymethyl]thiophene-2-carboxylic acid ethyl ester Formula: C19H19N3O5S MolecularWeight: 401.43626

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19N3O5S/c1-3-26-19(25)16-14(13(8-20)17(21)28-16)10-27-15(23)9-22-18(24)12-6-4-5-11(2)7-12/h4-7H,3,9-10,21H2,1-2H3,(H,22,24)