(2-oxidanylidene-2-propan-2-yloxy-ethyl) (3S)-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate

Systemtic Name: (2-oxidanylidene-2-propan-2-yloxy-ethyl) (3S)-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: (2-isopropoxy-2-oxo-ethyl) (3S)-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: (3S)-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid (2-oxo-2-propan-2-yloxyethyl) ester IUPAC Name: (2-oxo-2-propan-2-yloxyethyl) (3S)-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: (3S)-2-esyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid (2-isopropoxy-2-keto-ethyl) ester Formula: C17H23NO6S MolecularWeight: 369.43262

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)OCC(=O)OC(C)C

Isomeric SMILES

CCS(=O)(=O)N1CC2=CC=CC=C2C[C@H]1C(=O)OCC(=O)OC(C)C

InChI

InChI=1S/C17H23NO6S/c1-4-25(21,22)18-10-14-8-6-5-7-13(14)9-15(18)17(20)23-11-16(19)24-12(2)3/h5-8,12,15H,4,9-11H2,1-3H3/t15-/m0/s1