ethyl 3-[[(3R)-3-acetamido-3-phenyl-propanoyl]oxymethyl]-5-azanyl-4-cyano-thiophene-2-carboxylate

Systemtic Name: ethyl 3-[[(3R)-3-acetamido-3-phenyl-propanoyl]oxymethyl]-5-azanyl-4-cyano-thiophene-2-carboxylate Openeye Name: ethyl 3-[[(3R)-3-acetamido-3-phenyl-propanoyl]oxymethyl]-5-amino-4-cyano-thiophene-2-carboxylate CAS Name: 3-[[(3R)-3-acetamido-1-oxo-3-phenylpropoxy]methyl]-5-amino-4-cyano-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[[(3R)-3-acetamido-3-phenylpropanoyl]oxymethyl]-5-amino-4-cyanothiophene-2-carboxylate Traditional Name: 3-[[(3R)-3-acetamido-3-phenyl-propanoyl]oxymethyl]-5-amino-4-cyano-thiophene-2-carboxylic acid ethyl ester Formula: C20H21N3O5S MolecularWeight: 415.46284

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O5S/c1-3-27-20(26)18-15(14(10-21)19(22)29-18)11-28-17(25)9-16(23-12(2)24)13-7-5-4-6-8-13/h4-8,16H,3,9,11,22H2,1-2H3,(H,23,24)/t16-/m1/s1