S-[4-(diethoxyphosphorylmethyl)phenyl] 3,4-dihydro-2H-quinoline-1-carbothioate

Systemtic Name: S-[4-(diethoxyphosphorylmethyl)phenyl] 3,4-dihydro-2H-quinoline-1-carbothioate Openeye Name: S-[4-(diethoxyphosphorylmethyl)phenyl] 3,4-dihydro-2H-quinoline-1-carbothioate CAS Name: 3,4-dihydro-2H-quinoline-1-carbothioic acid S-[4-(diethoxyphosphorylmethyl)phenyl] ester IUPAC Name: S-[4-(diethoxyphosphorylmethyl)phenyl] 3,4-dihydro-2H-quinoline-1-carbothioate Traditional Name: 3,4-dihydro-2H-quinoline-1-carbothioic acid S-[4-(diethoxyphosphorylmethyl)phenyl] ester Formula: C21H26NO4PS MolecularWeight: 419.474201

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(CC1=CC=C(C=C1)SC(=O)N2CCCC3=CC=CC=C32)OCC

Isomeric SMILES

CCOP(=O)(CC1=CC=C(C=C1)SC(=O)N2CCCC3=CC=CC=C32)OCC

InChI

InChI=1S/C21H26NO4PS/c1-3-25-27(24,26-4-2)16-17-11-13-19(14-12-17)28-21(23)22-15-7-9-18-8-5-6-10-20(18)22/h5-6,8,10-14H,3-4,7,9,15-16H2,1-2H3