(2-iodanyl-6-methoxy-4-morpholin-4-ylcarbothioyl-phenyl) 2-methylbenzoate

Systemtic Name: (2-iodanyl-6-methoxy-4-morpholin-4-ylcarbothioyl-phenyl) 2-methylbenzoate Openeye Name: [2-iodo-6-methoxy-4-(morpholine-4-carbothioyl)phenyl] 2-methylbenzoate CAS Name: 2-methylbenzoic acid [2-iodo-6-methoxy-4-[4-morpholinyl(sulfanylidene)methyl]phenyl] ester IUPAC Name: [2-iodo-6-methoxy-4-(morpholine-4-carbothioyl)phenyl] 2-methylbenzoate Traditional Name: 2-methylbenzoic acid [2-iodo-6-methoxy-4-(morpholine-4-carbothioyl)phenyl] ester Formula: C20H20INO4S MolecularWeight: 497.34657

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)OC2=C(C=C(C=C2I)C(=S)N3CCOCC3)OC

Isomeric SMILES

CC1=CC=CC=C1C(=O)OC2=C(C=C(C=C2I)C(=S)N3CCOCC3)OC

InChI

InChI=1S/C20H20INO4S/c1-13-5-3-4-6-15(13)20(23)26-18-16(21)11-14(12-17(18)24-2)19(27)22-7-9-25-10-8-22/h3-6,11-12H,7-10H2,1-2H3