[2-(5-fluoranyl-2-methoxy-phenyl)-2-oxidanylidene-ethyl] (3S)-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate

Systemtic Name: [2-(5-fluoranyl-2-methoxy-phenyl)-2-oxidanylidene-ethyl] (3S)-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: [2-(5-fluoro-2-methoxy-phenyl)-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-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] ester IUPAC Name: [2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] (3S)-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: (3S)-2-esyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid [2-(5-fluoro-2-methoxy-phenyl)-2-keto-ethyl] ester Formula: C21H22FNO6S MolecularWeight: 435.465883

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)OCC(=O)C3=C(C=CC(=C3)F)OC

Isomeric SMILES

CCS(=O)(=O)N1CC2=CC=CC=C2C[C@H]1C(=O)OCC(=O)C3=C(C=CC(=C3)F)OC

InChI

InChI=1S/C21H22FNO6S/c1-3-30(26,27)23-12-15-7-5-4-6-14(15)10-18(23)21(25)29-13-19(24)17-11-16(22)8-9-20(17)28-2/h4-9,11,18H,3,10,12-13H2,1-2H3/t18-/m0/s1