ethyl 5-azanyl-4-cyano-3-[[[(1S)-2-methyl-1-phenyl-propyl]amino]methyl]thiophene-2-carboxylate

Systemtic Name: ethyl 5-azanyl-4-cyano-3-[[[(1S)-2-methyl-1-phenyl-propyl]amino]methyl]thiophene-2-carboxylate Openeye Name: ethyl 5-amino-4-cyano-3-[[[(1S)-2-methyl-1-phenyl-propyl]amino]methyl]thiophene-2-carboxylate CAS Name: 5-amino-4-cyano-3-[[[(1S)-2-methyl-1-phenylpropyl]amino]methyl]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-cyano-3-[[[(1S)-2-methyl-1-phenylpropyl]amino]methyl]thiophene-2-carboxylate Traditional Name: 5-amino-4-cyano-3-[[[(1S)-2-methyl-1-phenyl-propyl]amino]methyl]thiophene-2-carboxylic acid ethyl ester Formula: C19H23N3O2S MolecularWeight: 357.46982

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23N3O2S/c1-4-24-19(23)17-15(14(10-20)18(21)25-17)11-22-16(12(2)3)13-8-6-5-7-9-13/h5-9,12,16,22H,4,11,21H2,1-3H3/t16-/m0/s1