[2-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-2-oxidanylidene-ethyl] 4-methylsulfanyl-3-nitro-benzoate

Systemtic Name: [2-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-2-oxidanylidene-ethyl] 4-methylsulfanyl-3-nitro-benzoate Openeye Name: [2-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-2-oxo-ethyl] 4-methylsulfanyl-3-nitro-benzoate CAS Name: 4-(methylthio)-3-nitrobenzoic acid [2-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-2-oxoethyl] ester IUPAC Name: [2-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-2-oxoethyl] 4-methylsulfanyl-3-nitrobenzoate Traditional Name: 4-(methylthio)-3-nitro-benzoic acid [2-keto-2-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethyl] ester Formula: C20H20N2O5S MolecularWeight: 400.4482

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=CC=CC=C2N1C(=O)COC(=O)C3=CC(=C(C=C3)SC)[N+](=O)[O-]

Isomeric SMILES

C[C@@H]1CCC2=CC=CC=C2N1C(=O)COC(=O)C3=CC(=C(C=C3)SC)[N+](=O)[O-]

InChI

InChI=1S/C20H20N2O5S/c1-13-7-8-14-5-3-4-6-16(14)21(13)19(23)12-27-20(24)15-9-10-18(28-2)17(11-15)22(25)26/h3-6,9-11,13H,7-8,12H2,1-2H3/t13-/m1/s1