(E)-3-(6-methylsulfanyl-4-morpholin-4-yl-quinolin-2-yl)-1-(4-pyrrolidin-1-ylcarbonylphenyl)prop-2-en-1-one

Systemtic Name: (E)-3-(6-methylsulfanyl-4-morpholin-4-yl-quinolin-2-yl)-1-(4-pyrrolidin-1-ylcarbonylphenyl)prop-2-en-1-one Openeye Name: (E)-3-(6-methylsulfanyl-4-morpholino-2-quinolyl)-1-[4-(pyrrolidine-1-carbonyl)phenyl]prop-2-en-1-one CAS Name: (E)-3-[6-(methylthio)-4-(4-morpholinyl)-2-quinolinyl]-1-[4-[oxo(1-pyrrolidinyl)methyl]phenyl]-2-propen-1-one IUPAC Name: (E)-3-(6-methylsulfanyl-4-morpholin-4-ylquinolin-2-yl)-1-[4-(pyrrolidine-1-carbonyl)phenyl]prop-2-en-1-one Traditional Name: (E)-3-[6-(methylthio)-4-morpholino-2-quinolyl]-1-[4-(pyrrolidine-1-carbonyl)phenyl]prop-2-en-1-one Formula: C28H29N3O3S MolecularWeight: 487.61316

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC2=C(C=C1)N=C(C=C2N3CCOCC3)C=CC(=O)C4=CC=C(C=C4)C(=O)N5CCCC5

Isomeric SMILES

CSC1=CC2=C(C=C1)N=C(C=C2N3CCOCC3)/C=C/C(=O)C4=CC=C(C=C4)C(=O)N5CCCC5

InChI

InChI=1S/C28H29N3O3S/c1-35-23-9-10-25-24(19-23)26(30-14-16-34-17-15-30)18-22(29-25)8-11-27(32)20-4-6-21(7-5-20)28(33)31-12-2-3-13-31/h4-11,18-19H,2-3,12-17H2,1H3/b11-8+