(2-bromanyl-6-ethoxy-4-morpholin-4-ylcarbothioyl-phenyl) naphthalene-2-sulfonate

Systemtic Name: (2-bromanyl-6-ethoxy-4-morpholin-4-ylcarbothioyl-phenyl) naphthalene-2-sulfonate Openeye Name: [2-bromo-6-ethoxy-4-(morpholine-4-carbothioyl)phenyl] naphthalene-2-sulfonate CAS Name: 2-naphthalenesulfonic acid [2-bromo-6-ethoxy-4-[4-morpholinyl(sulfanylidene)methyl]phenyl] ester IUPAC Name: [2-bromo-6-ethoxy-4-(morpholine-4-carbothioyl)phenyl] naphthalene-2-sulfonate Traditional Name: naphthalene-2-sulfonic acid [2-bromo-6-ethoxy-4-(morpholine-4-carbothioyl)phenyl] ester Formula: C23H22BrNO5S2 MolecularWeight: 536.45848

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C(=S)N2CCOCC2)Br)OS(=O)(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C(=S)N2CCOCC2)Br)OS(=O)(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C23H22BrNO5S2/c1-2-29-21-15-18(23(31)25-9-11-28-12-10-25)14-20(24)22(21)30-32(26,27)19-8-7-16-5-3-4-6-17(16)13-19/h3-8,13-15H,2,9-12H2,1H3