3-(6-morpholin-4-yl-4-oxidanylidene-pyran-2-yl)-2-phenyl-benzenethiolate

Systemtic Name: 3-(6-morpholin-4-yl-4-oxidanylidene-pyran-2-yl)-2-phenyl-benzenethiolate Openeye Name: 3-(6-morpholino-4-oxo-pyran-2-yl)-2-phenyl-benzenethiolate CAS Name: 3-[6-(4-morpholinyl)-4-oxo-2-pyranyl]-2-phenylbenzenethiolate IUPAC Name: 3-(6-morpholin-4-yl-4-oxopyran-2-yl)-2-phenylbenzenethiolate Traditional Name: 3-(4-keto-6-morpholino-pyran-2-yl)-2-phenyl-benzenethiolate Formula: C21H18NO3S- MolecularWeight: 364.43752

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=CC(=O)C=C(O2)C3=C(C(=CC=C3)[S-])C4=CC=CC=C4

Isomeric SMILES

C1COCCN1C2=CC(=O)C=C(O2)C3=C(C(=CC=C3)[S-])C4=CC=CC=C4

InChI

InChI=1S/C21H19NO3S/c23-16-13-18(25-20(14-16)22-9-11-24-12-10-22)17-7-4-8-19(26)21(17)15-5-2-1-3-6-15/h1-8,13-14,26H,9-12H2/p-1