(2,6-dimethoxy-4-morpholin-4-ylcarbothioyl-phenyl) 3-chloranylbenzoate

Systemtic Name: (2,6-dimethoxy-4-morpholin-4-ylcarbothioyl-phenyl) 3-chloranylbenzoate Openeye Name: [2,6-dimethoxy-4-(morpholine-4-carbothioyl)phenyl] 3-chlorobenzoate CAS Name: 3-chlorobenzoic acid [2,6-dimethoxy-4-[4-morpholinyl(sulfanylidene)methyl]phenyl] ester IUPAC Name: [2,6-dimethoxy-4-(morpholine-4-carbothioyl)phenyl] 3-chlorobenzoate Traditional Name: 3-chlorobenzoic acid [2,6-dimethoxy-4-(morpholine-4-carbothioyl)phenyl] ester Formula: C20H20ClNO5S MolecularWeight: 421.8945

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC(=O)C2=CC(=CC=C2)Cl)OC)C(=S)N3CCOCC3

Isomeric SMILES

COC1=CC(=CC(=C1OC(=O)C2=CC(=CC=C2)Cl)OC)C(=S)N3CCOCC3

InChI

InChI=1S/C20H20ClNO5S/c1-24-16-11-14(19(28)22-6-8-26-9-7-22)12-17(25-2)18(16)27-20(23)13-4-3-5-15(21)10-13/h3-5,10-12H,6-9H2,1-2H3