[4-(1,3,4-oxadiazol-2-yl)phenyl] (3S)-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate

Systemtic Name: [4-(1,3,4-oxadiazol-2-yl)phenyl] (3S)-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: [4-(1,3,4-oxadiazol-2-yl)phenyl] (3S)-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: (3S)-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid [4-(1,3,4-oxadiazol-2-yl)phenyl] ester IUPAC Name: [4-(1,3,4-oxadiazol-2-yl)phenyl] (3S)-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: (3S)-2-esyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid [4-(1,3,4-oxadiazol-2-yl)phenyl] ester Formula: C20H19N3O5S MolecularWeight: 413.44696

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)OC3=CC=C(C=C3)C4=NN=CO4

Isomeric SMILES

CCS(=O)(=O)N1CC2=CC=CC=C2C[C@H]1C(=O)OC3=CC=C(C=C3)C4=NN=CO4

InChI

InChI=1S/C20H19N3O5S/c1-2-29(25,26)23-12-16-6-4-3-5-15(16)11-18(23)20(24)28-17-9-7-14(8-10-17)19-22-21-13-27-19/h3-10,13,18H,2,11-12H2,1H3/t18-/m0/s1