(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl (3S)-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate

Systemtic Name: (5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl (3S)-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: (5-methyl-2-phenyl-oxazol-4-yl)methyl (3S)-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: (3S)-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid (5-methyl-2-phenyl-4-oxazolyl)methyl ester IUPAC Name: (5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl (3S)-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: (3S)-2-esyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid (5-methyl-2-phenyl-oxazol-4-yl)methyl ester Formula: C23H24N2O5S MolecularWeight: 440.51206

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)OCC3=C(OC(=N3)C4=CC=CC=C4)C

Isomeric SMILES

CCS(=O)(=O)N1CC2=CC=CC=C2C[C@H]1C(=O)OCC3=C(OC(=N3)C4=CC=CC=C4)C

InChI

InChI=1S/C23H24N2O5S/c1-3-31(27,28)25-14-19-12-8-7-11-18(19)13-21(25)23(26)29-15-20-16(2)30-22(24-20)17-9-5-4-6-10-17/h4-12,21H,3,13-15H2,1-2H3/t21-/m0/s1