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

Systemtic Name: ethyl 5-azanyl-4-cyano-3-[[[(R)-(4-methylphenyl)-phenyl-methyl]amino]methyl]thiophene-2-carboxylate Openeye Name: ethyl 5-amino-4-cyano-3-[[[(R)-phenyl(p-tolyl)methyl]amino]methyl]thiophene-2-carboxylate CAS Name: 5-amino-4-cyano-3-[[[(R)-(4-methylphenyl)-phenylmethyl]amino]methyl]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-cyano-3-[[[(R)-(4-methylphenyl)-phenylmethyl]amino]methyl]thiophene-2-carboxylate Traditional Name: 5-amino-4-cyano-3-[[[(R)-phenyl(p-tolyl)methyl]amino]methyl]thiophene-2-carboxylic acid ethyl ester Formula: C23H23N3O2S MolecularWeight: 405.51262

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)N)C#N)CNC(C2=CC=CC=C2)C3=CC=C(C=C3)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)CN[C@H](C2=CC=CC=C2)C3=CC=C(C=C3)C

InChI

InChI=1S/C23H23N3O2S/c1-3-28-23(27)21-19(18(13-24)22(25)29-21)14-26-20(16-7-5-4-6-8-16)17-11-9-15(2)10-12-17/h4-12,20,26H,3,14,25H2,1-2H3/t20-/m1/s1