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

Systemtic Name: ethyl 5-azanyl-4-cyano-3-[[[(1S)-2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]methyl]thiophene-2-carboxylate Openeye Name: ethyl 5-amino-4-cyano-3-[[[(1S)-1-(4-isopropylphenyl)-2-methyl-propyl]amino]methyl]thiophene-2-carboxylate CAS Name: 5-amino-4-cyano-3-[[[(1S)-2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]methyl]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-cyano-3-[[[(1S)-2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]methyl]thiophene-2-carboxylate Traditional Name: 5-amino-4-cyano-3-[[[(1S)-2-methyl-1-p-cumenyl-propyl]amino]methyl]thiophene-2-carboxylic acid ethyl ester Formula: C22H29N3O2S MolecularWeight: 399.54956

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N3O2S/c1-6-27-22(26)20-18(17(11-23)21(24)28-20)12-25-19(14(4)5)16-9-7-15(8-10-16)13(2)3/h7-10,13-14,19,25H,6,12,24H2,1-5H3/t19-/m0/s1