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

Systemtic Name: (3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: (3,5-dimethylisoxazol-4-yl)methyl 2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: 2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid (3,5-dimethyl-4-isoxazolyl)methyl ester IUPAC Name: (3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: 2-esyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid (3,5-dimethylisoxazol-4-yl)methyl ester Formula: C18H22N2O5S MolecularWeight: 378.44268

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)OCC3=C(ON=C3C)C

Isomeric SMILES

CCS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)OCC3=C(ON=C3C)C

InChI

InChI=1S/C18H22N2O5S/c1-4-26(22,23)20-10-15-8-6-5-7-14(15)9-17(20)18(21)24-11-16-12(2)19-25-13(16)3/h5-8,17H,4,9-11H2,1-3H3