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

Systemtic Name: [(2S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxidanylidene-propan-2-yl] 5-azanyl-3-methyl-1,2-thiazole-4-carboxylate Openeye Name: [(1S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-methyl-2-oxo-ethyl] 5-amino-3-methyl-isothiazole-4-carboxylate CAS Name: 5-amino-3-methyl-4-isothiazolecarboxylic acid [(2S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl] 5-amino-3-methyl-1,2-thiazole-4-carboxylate Traditional Name: 5-amino-3-methyl-isothiazole-4-carboxylic acid [(1S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-1-methyl-ethyl] ester Formula: C17H19N3O3S MolecularWeight: 345.41606

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NSC(=C1C(=O)OC(C)C(=O)N2CCC3=CC=CC=C3C2)N

Isomeric SMILES

CC1=NSC(=C1C(=O)O[C@@H](C)C(=O)N2CCC3=CC=CC=C3C2)N

InChI

InChI=1S/C17H19N3O3S/c1-10-14(15(18)24-19-10)17(22)23-11(2)16(21)20-8-7-12-5-3-4-6-13(12)9-20/h3-6,11H,7-9,18H2,1-2H3/t11-/m0/s1