[2-(4-ethylsulfanyl-6-isocyano-1,2,3,4-tetrahydroquinolin-2-yl)-2-methyl-propyl] 4-fluoranylbenzoate

Systemtic Name: [2-(4-ethylsulfanyl-6-isocyano-1,2,3,4-tetrahydroquinolin-2-yl)-2-methyl-propyl] 4-fluoranylbenzoate Openeye Name: [2-(4-ethylsulfanyl-6-isocyano-1,2,3,4-tetrahydroquinolin-2-yl)-2-methyl-propyl] 4-fluorobenzoate CAS Name: 4-fluorobenzoic acid [2-[4-(ethylthio)-6-isocyano-1,2,3,4-tetrahydroquinolin-2-yl]-2-methylpropyl] ester IUPAC Name: [2-(4-ethylsulfanyl-6-isocyano-1,2,3,4-tetrahydroquinolin-2-yl)-2-methylpropyl] 4-fluorobenzoate Traditional Name: 4-fluorobenzoic acid [2-[4-(ethylthio)-6-isocyano-1,2,3,4-tetrahydroquinolin-2-yl]-2-methyl-propyl] ester Formula: C23H25FN2O2S MolecularWeight: 412.520203

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1CC(NC2=C1C=C(C=C2)[N+]#[C-])C(C)(C)COC(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CCSC1CC(NC2=C1C=C(C=C2)[N+]#[C-])C(C)(C)COC(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C23H25FN2O2S/c1-5-29-20-13-21(26-19-11-10-17(25-4)12-18(19)20)23(2,3)14-28-22(27)15-6-8-16(24)9-7-15/h6-12,20-21,26H,5,13-14H2,1-3H3