ethyl 2-[(1R)-1-azanyl-2-(1H-indol-3-yl)ethyl]-5-phenyl-1,3-thiazole-4-carboxylate

Systemtic Name: ethyl 2-[(1R)-1-azanyl-2-(1H-indol-3-yl)ethyl]-5-phenyl-1,3-thiazole-4-carboxylate Openeye Name: ethyl 2-[(1R)-1-amino-2-(1H-indol-3-yl)ethyl]-5-phenyl-thiazole-4-carboxylate CAS Name: 2-[(1R)-1-amino-2-(1H-indol-3-yl)ethyl]-5-phenyl-4-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(1R)-1-amino-2-(1H-indol-3-yl)ethyl]-5-phenyl-1,3-thiazole-4-carboxylate Traditional Name: 2-[(1R)-1-amino-2-(1H-indol-3-yl)ethyl]-5-phenyl-thiazole-4-carboxylic acid ethyl ester Formula: C22H21N3O2S MolecularWeight: 391.48604

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=N1)C(CC2=CNC3=CC=CC=C32)N)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(SC(=N1)[C@@H](CC2=CNC3=CC=CC=C32)N)C4=CC=CC=C4

InChI

InChI=1S/C22H21N3O2S/c1-2-27-22(26)19-20(14-8-4-3-5-9-14)28-21(25-19)17(23)12-15-13-24-18-11-7-6-10-16(15)18/h3-11,13,17,24H,2,12,23H2,1H3/t17-/m1/s1