2-[(1S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-4-methyl-1,3-thiazole-5-carboxylate

Systemtic Name: 2-[(1S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-4-methyl-1,3-thiazole-5-carboxylate Openeye Name: 2-[(1S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-4-methyl-thiazole-5-carboxylate CAS Name: 2-[(1S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-4-methyl-5-thiazolecarboxylate IUPAC Name: 2-[(1S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-4-methyl-1,3-thiazole-5-carboxylate Traditional Name: 2-[(1S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-4-methyl-thiazole-5-carboxylate Formula: C16H17N2O2S- MolecularWeight: 301.38338

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)C(C)N2CCC3=CC=CC=C3C2)C(=O)[O-]

Isomeric SMILES

CC1=C(SC(=N1)[C@H](C)N2CCC3=CC=CC=C3C2)C(=O)[O-]

InChI

InChI=1S/C16H18N2O2S/c1-10-14(16(19)20)21-15(17-10)11(2)18-8-7-12-5-3-4-6-13(12)9-18/h3-6,11H,7-9H2,1-2H3,(H,19,20)/p-1/t11-/m0/s1