3-azanyl-5-[3-(6-morpholin-4-yl-4-oxidanylidene-thiopyran-2-yl)phenyl]benzoic acid

Systemtic Name: 3-azanyl-5-[3-(6-morpholin-4-yl-4-oxidanylidene-thiopyran-2-yl)phenyl]benzoic acid Openeye Name: 3-amino-5-[3-(6-morpholino-4-oxo-thiopyran-2-yl)phenyl]benzoic acid CAS Name: 3-amino-5-[3-[6-(4-morpholinyl)-4-oxo-2-thiopyranyl]phenyl]benzoic acid IUPAC Name: 3-amino-5-[3-(6-morpholin-4-yl-4-oxothiopyran-2-yl)phenyl]benzoic acid Traditional Name: 3-amino-5-[3-(4-keto-6-morpholino-thiopyran-2-yl)phenyl]benzoic acid Formula: C22H20N2O4S MolecularWeight: 408.4702

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20N2O4S/c23-18-10-16(9-17(11-18)22(26)27)14-2-1-3-15(8-14)20-12-19(25)13-21(29-20)24-4-6-28-7-5-24/h1-3,8-13H,4-7,23H2,(H,26,27)