3-[3-(6-morpholin-4-yl-4-oxidanylidene-thiopyran-2-yl)phenyl]benzoic acid

Systemtic Name: 3-[3-(6-morpholin-4-yl-4-oxidanylidene-thiopyran-2-yl)phenyl]benzoic acid Openeye Name: 3-[3-(6-morpholino-4-oxo-thiopyran-2-yl)phenyl]benzoic acid CAS Name: 3-[3-[6-(4-morpholinyl)-4-oxo-2-thiopyranyl]phenyl]benzoic acid IUPAC Name: 3-[3-(6-morpholin-4-yl-4-oxothiopyran-2-yl)phenyl]benzoic acid Traditional Name: 3-[3-(4-keto-6-morpholino-thiopyran-2-yl)phenyl]benzoic acid Formula: C22H19NO4S MolecularWeight: 393.45556

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=CC(=O)C=C(S2)C3=CC=CC(=C3)C4=CC(=CC=C4)C(=O)O

Isomeric SMILES

C1COCCN1C2=CC(=O)C=C(S2)C3=CC=CC(=C3)C4=CC(=CC=C4)C(=O)O

InChI

InChI=1S/C22H19NO4S/c24-19-13-20(28-21(14-19)23-7-9-27-10-8-23)17-5-1-3-15(11-17)16-4-2-6-18(12-16)22(25)26/h1-6,11-14H,7-10H2,(H,25,26)