(E)-3-[1-cyclopropyl-6-fluoranyl-4-oxidanylidene-7-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]quinolin-3-yl]prop-2-enoate

Systemtic Name: (E)-3-[1-cyclopropyl-6-fluoranyl-4-oxidanylidene-7-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]quinolin-3-yl]prop-2-enoate Openeye Name: (E)-3-[1-cyclopropyl-6-fluoro-7-[(4-isopropylthiazol-2-yl)methyl]-4-oxo-3-quinolyl]prop-2-enoate CAS Name: (E)-3-[1-cyclopropyl-6-fluoro-4-oxo-7-[(4-propan-2-yl-2-thiazolyl)methyl]-3-quinolinyl]-2-propenoate IUPAC Name: (E)-3-[1-cyclopropyl-6-fluoro-4-oxo-7-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]quinolin-3-yl]prop-2-enoate Traditional Name: (E)-3-[1-cyclopropyl-6-fluoro-7-[(4-isopropylthiazol-2-yl)methyl]-4-keto-3-quinolyl]acrylate Formula: C22H20FN2O3S- MolecularWeight: 411.469203

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CSC(=N1)CC2=C(C=C3C(=C2)N(C=C(C3=O)C=CC(=O)[O-])C4CC4)F

Isomeric SMILES

CC(C)C1=CSC(=N1)CC2=C(C=C3C(=C2)N(C=C(C3=O)/C=C/C(=O)[O-])C4CC4)F

InChI

InChI=1S/C22H21FN2O3S/c1-12(2)18-11-29-20(24-18)8-14-7-19-16(9-17(14)23)22(28)13(3-6-21(26)27)10-25(19)15-4-5-15/h3,6-7,9-12,15H,4-5,8H2,1-2H3,(H,26,27)/p-1/b6-3+