[3,5-bis(trifluoromethyl)phenyl]methyl 2-azanyl-3-(1-benzothiophen-3-yl)propanoate

Systemtic Name: [3,5-bis(trifluoromethyl)phenyl]methyl 2-azanyl-3-(1-benzothiophen-3-yl)propanoate Openeye Name: [3,5-bis(trifluoromethyl)phenyl]methyl 2-amino-3-(benzothiophen-3-yl)propanoate CAS Name: 2-amino-3-(1-benzothiophen-3-yl)propanoic acid [3,5-bis(trifluoromethyl)phenyl]methyl ester IUPAC Name: [3,5-bis(trifluoromethyl)phenyl]methyl 2-amino-3-(1-benzothiophen-3-yl)propanoate Traditional Name: 2-amino-3-(benzothiophen-3-yl)propionic acid [3,5-bis(trifluoromethyl)benzyl] ester Formula: C20H15F6NO2S MolecularWeight: 447.394019

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CS2)CC(C(=O)OCC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)N

Isomeric SMILES

C1=CC=C2C(=C1)C(=CS2)CC(C(=O)OCC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)N

InChI

InChI=1S/C20H15F6NO2S/c21-19(22,23)13-5-11(6-14(8-13)20(24,25)26)9-29-18(28)16(27)7-12-10-30-17-4-2-1-3-15(12)17/h1-6,8,10,16H,7,9,27H2