ethyl 5-azanyl-4-cyano-3-[[(2S)-2-(3-methylphenoxy)propanoyl]oxymethyl]thiophene-2-carboxylate

Systemtic Name: ethyl 5-azanyl-4-cyano-3-[[(2S)-2-(3-methylphenoxy)propanoyl]oxymethyl]thiophene-2-carboxylate Openeye Name: ethyl 5-amino-4-cyano-3-[[(2S)-2-(3-methylphenoxy)propanoyl]oxymethyl]thiophene-2-carboxylate CAS Name: 5-amino-4-cyano-3-[[(2S)-2-(3-methylphenoxy)-1-oxopropoxy]methyl]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-cyano-3-[[(2S)-2-(3-methylphenoxy)propanoyl]oxymethyl]thiophene-2-carboxylate Traditional Name: 5-amino-4-cyano-3-[[(2S)-2-(3-methylphenoxy)propanoyl]oxymethyl]thiophene-2-carboxylic acid ethyl ester Formula: C19H20N2O5S MolecularWeight: 388.4375

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)N)C#N)COC(=O)C(C)OC2=CC=CC(=C2)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)COC(=O)[C@H](C)OC2=CC=CC(=C2)C

InChI

InChI=1S/C19H20N2O5S/c1-4-24-19(23)16-15(14(9-20)17(21)27-16)10-25-18(22)12(3)26-13-7-5-6-11(2)8-13/h5-8,12H,4,10,21H2,1-3H3/t12-/m0/s1