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

Systemtic Name: [2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxidanylidene-ethyl] (3S)-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: [2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-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-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] ester IUPAC Name: [2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-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-keto-2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)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)OCC(=O)N3C(CCC4=CC=CC=C43)C

Isomeric SMILES

CCS(=O)(=O)N1CC2=CC=CC=C2C[C@H]1C(=O)OCC(=O)N3C(CCC4=CC=CC=C43)C

InChI

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