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

Systemtic Name: ethyl 5-azanyl-4-cyano-3-[[(3S)-3-phenylbutanoyl]oxymethyl]thiophene-2-carboxylate Openeye Name: ethyl 5-amino-4-cyano-3-[[(3S)-3-phenylbutanoyl]oxymethyl]thiophene-2-carboxylate CAS Name: 5-amino-4-cyano-3-[[(3S)-1-oxo-3-phenylbutoxy]methyl]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-cyano-3-[[(3S)-3-phenylbutanoyl]oxymethyl]thiophene-2-carboxylate Traditional Name: 5-amino-4-cyano-3-[[(3S)-3-phenylbutanoyl]oxymethyl]thiophene-2-carboxylic acid ethyl ester Formula: C19H20N2O4S MolecularWeight: 372.4381

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20N2O4S/c1-3-24-19(23)17-15(14(10-20)18(21)26-17)11-25-16(22)9-12(2)13-7-5-4-6-8-13/h4-8,12H,3,9,11,21H2,1-2H3/t12-/m0/s1