[1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxidanylidene-propan-2-yl] (3S)-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate

Systemtic Name: [1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxidanylidene-propan-2-yl] (3S)-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: [2-(3,4-dihydro-2H-quinolin-1-yl)-1-methyl-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 [1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl] (3S)-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: (3S)-2-esyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid [2-(3,4-dihydro-2H-quinolin-1-yl)-2-keto-1-methyl-ethyl] ester Formula: C24H28N2O5S MolecularWeight: 456.55452

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)OC(C)C(=O)N3CCCC4=CC=CC=C43

Isomeric SMILES

CCS(=O)(=O)N1CC2=CC=CC=C2C[C@H]1C(=O)OC(C)C(=O)N3CCCC4=CC=CC=C43

InChI

InChI=1S/C24H28N2O5S/c1-3-32(29,30)26-16-20-11-5-4-10-19(20)15-22(26)24(28)31-17(2)23(27)25-14-8-12-18-9-6-7-13-21(18)25/h4-7,9-11,13,17,22H,3,8,12,14-16H2,1-2H3/t17?,22-/m0/s1