(4-morpholin-4-ylcarbothioylphenyl) 4-methoxybenzenesulfonate

Systemtic Name: (4-morpholin-4-ylcarbothioylphenyl) 4-methoxybenzenesulfonate Openeye Name: [4-(morpholine-4-carbothioyl)phenyl] 4-methoxybenzenesulfonate CAS Name: 4-methoxybenzenesulfonic acid [4-[4-morpholinyl(sulfanylidene)methyl]phenyl] ester IUPAC Name: [4-(morpholine-4-carbothioyl)phenyl] 4-methoxybenzenesulfonate Traditional Name: 4-methoxybenzenesulfonic acid [4-(morpholine-4-carbothioyl)phenyl] ester Formula: C18H19NO5S2 MolecularWeight: 393.47716

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)C(=S)N3CCOCC3

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)C(=S)N3CCOCC3

InChI

InChI=1S/C18H19NO5S2/c1-22-15-6-8-17(9-7-15)26(20,21)24-16-4-2-14(3-5-16)18(25)19-10-12-23-13-11-19/h2-9H,10-13H2,1H3