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

Systemtic Name: ethyl 5-azanyl-4-cyano-3-[[[(1R)-1-naphthalen-1-ylethyl]amino]methyl]thiophene-2-carboxylate Openeye Name: ethyl 5-amino-4-cyano-3-[[[(1R)-1-(1-naphthyl)ethyl]amino]methyl]thiophene-2-carboxylate CAS Name: 5-amino-4-cyano-3-[[[(1R)-1-(1-naphthalenyl)ethyl]amino]methyl]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-cyano-3-[[[(1R)-1-naphthalen-1-ylethyl]amino]methyl]thiophene-2-carboxylate Traditional Name: 5-amino-4-cyano-3-[[[(1R)-1-(1-naphthyl)ethyl]amino]methyl]thiophene-2-carboxylic acid ethyl ester Formula: C21H21N3O2S MolecularWeight: 379.47534

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)N)C#N)CNC(C)C2=CC=CC3=CC=CC=C32

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)CN[C@H](C)C2=CC=CC3=CC=CC=C32

InChI

InChI=1S/C21H21N3O2S/c1-3-26-21(25)19-18(17(11-22)20(23)27-19)12-24-13(2)15-10-6-8-14-7-4-5-9-16(14)15/h4-10,13,24H,3,12,23H2,1-2H3/t13-/m1/s1