(E)-1-(4-thiomorpholin-4-ylcarbonylphenyl)-3-(5,6,7-trimethoxyquinolin-2-yl)prop-2-en-1-one

Systemtic Name: (E)-1-(4-thiomorpholin-4-ylcarbonylphenyl)-3-(5,6,7-trimethoxyquinolin-2-yl)prop-2-en-1-one Openeye Name: (E)-1-[4-(thiomorpholine-4-carbonyl)phenyl]-3-(5,6,7-trimethoxy-2-quinolyl)prop-2-en-1-one CAS Name: (E)-1-[4-[oxo(thiomorpholin-4-yl)methyl]phenyl]-3-(5,6,7-trimethoxy-2-quinolinyl)-2-propen-1-one IUPAC Name: (E)-1-[4-(thiomorpholine-4-carbonyl)phenyl]-3-(5,6,7-trimethoxyquinolin-2-yl)prop-2-en-1-one Traditional Name: (E)-1-[4-(thiomorpholine-4-carbonyl)phenyl]-3-(5,6,7-trimethoxy-2-quinolyl)prop-2-en-1-one Formula: C26H26N2O5S MolecularWeight: 478.56004

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C2C=CC(=NC2=C1)C=CC(=O)C3=CC=C(C=C3)C(=O)N4CCSCC4)OC)OC

Isomeric SMILES

COC1=C(C(=C2C=CC(=NC2=C1)/C=C/C(=O)C3=CC=C(C=C3)C(=O)N4CCSCC4)OC)OC

InChI

InChI=1S/C26H26N2O5S/c1-31-23-16-21-20(24(32-2)25(23)33-3)10-8-19(27-21)9-11-22(29)17-4-6-18(7-5-17)26(30)28-12-14-34-15-13-28/h4-11,16H,12-15H2,1-3H3/b11-9+