ethyl 5-azanyl-4-cyano-3-[[[(1R)-1-phenylethyl]amino]methyl]thiophene-2-carboxylate

Systemtic Name: ethyl 5-azanyl-4-cyano-3-[[[(1R)-1-phenylethyl]amino]methyl]thiophene-2-carboxylate Openeye Name: ethyl 5-amino-4-cyano-3-[[[(1R)-1-phenylethyl]amino]methyl]thiophene-2-carboxylate CAS Name: 5-amino-4-cyano-3-[[[(1R)-1-phenylethyl]amino]methyl]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-cyano-3-[[[(1R)-1-phenylethyl]amino]methyl]thiophene-2-carboxylate Traditional Name: 5-amino-4-cyano-3-[[[(1R)-1-phenylethyl]amino]methyl]thiophene-2-carboxylic acid ethyl ester Formula: C17H19N3O2S MolecularWeight: 329.41666

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19N3O2S/c1-3-22-17(21)15-14(13(9-18)16(19)23-15)10-20-11(2)12-7-5-4-6-8-12/h4-8,11,20H,3,10,19H2,1-2H3/t11-/m1/s1