[(2S)-1-oxidanylidene-1-(phenethylamino)propan-2-yl] 2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethanoate

Systemtic Name: [(2S)-1-oxidanylidene-1-(phenethylamino)propan-2-yl] 2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethanoate Openeye Name: [(1S)-1-methyl-2-oxo-2-(phenethylamino)ethyl] 2-[2-(3-pyridyl)thiazol-4-yl]acetate CAS Name: 2-[2-(3-pyridinyl)-4-thiazolyl]acetic acid [(2S)-1-oxo-1-(phenethylamino)propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-(phenethylamino)propan-2-yl] 2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetate Traditional Name: 2-[2-(3-pyridyl)thiazol-4-yl]acetic acid [(1S)-2-keto-1-methyl-2-(phenethylamino)ethyl] ester Formula: C21H21N3O3S MolecularWeight: 395.47474

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCCC1=CC=CC=C1)OC(=O)CC2=CSC(=N2)C3=CN=CC=C3

Isomeric SMILES

C[C@@H](C(=O)NCCC1=CC=CC=C1)OC(=O)CC2=CSC(=N2)C3=CN=CC=C3

InChI

InChI=1S/C21H21N3O3S/c1-15(20(26)23-11-9-16-6-3-2-4-7-16)27-19(25)12-18-14-28-21(24-18)17-8-5-10-22-13-17/h2-8,10,13-15H,9,11-12H2,1H3,(H,23,26)/t15-/m0/s1