2-[2-[(1S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-1,3-thiazol-4-yl]ethanoate

Systemtic Name: 2-[2-[(1S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-1,3-thiazol-4-yl]ethanoate Openeye Name: 2-[2-[(1S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]thiazol-4-yl]acetate CAS Name: 2-[2-[(1S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-4-thiazolyl]acetate IUPAC Name: 2-[2-[(1S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-1,3-thiazol-4-yl]acetate Traditional Name: 2-[2-[(1S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]thiazol-4-yl]acetate Formula: C16H17N2O2S- MolecularWeight: 301.38338

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC(=CS1)CC(=O)[O-])N2CCC3=CC=CC=C3C2

Isomeric SMILES

C[C@@H](C1=NC(=CS1)CC(=O)[O-])N2CCC3=CC=CC=C3C2

InChI

InChI=1S/C16H18N2O2S/c1-11(16-17-14(10-21-16)8-15(19)20)18-7-6-12-4-2-3-5-13(12)9-18/h2-5,10-11H,6-9H2,1H3,(H,19,20)/p-1/t11-/m0/s1