[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl (3S)-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate

Systemtic Name: [2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl (3S)-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: [2-(4-methoxyphenyl)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 [2-(4-methoxyphenyl)-4-oxazolyl]methyl ester IUPAC Name: [2-(4-methoxyphenyl)-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 [2-(4-methoxyphenyl)oxazol-4-yl]methyl ester Formula: C23H24N2O6S MolecularWeight: 456.51146

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H24N2O6S/c1-3-32(27,28)25-13-18-7-5-4-6-17(18)12-21(25)23(26)31-15-19-14-30-22(24-19)16-8-10-20(29-2)11-9-16/h4-11,14,21H,3,12-13,15H2,1-2H3/t21-/m0/s1