(2-methoxy-4-morpholin-4-ylcarbothioyl-phenyl) 4-methylbenzenesulfonate

Systemtic Name: (2-methoxy-4-morpholin-4-ylcarbothioyl-phenyl) 4-methylbenzenesulfonate Openeye Name: [2-methoxy-4-(morpholine-4-carbothioyl)phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-methoxy-4-[4-morpholinyl(sulfanylidene)methyl]phenyl] ester IUPAC Name: [2-methoxy-4-(morpholine-4-carbothioyl)phenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-methoxy-4-(morpholine-4-carbothioyl)phenyl] ester Formula: C19H21NO5S2 MolecularWeight: 407.50374

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)C(=S)N3CCOCC3)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)C(=S)N3CCOCC3)OC

InChI

InChI=1S/C19H21NO5S2/c1-14-3-6-16(7-4-14)27(21,22)25-17-8-5-15(13-18(17)23-2)19(26)20-9-11-24-12-10-20/h3-8,13H,9-12H2,1-2H3