[2-fluoranyl-4-(2-methyl-1,3-thiazol-4-yl)phenyl] 3-methylquinoline-8-sulfonate

Systemtic Name: [2-fluoranyl-4-(2-methyl-1,3-thiazol-4-yl)phenyl] 3-methylquinoline-8-sulfonate Openeye Name: [2-fluoro-4-(2-methylthiazol-4-yl)phenyl] 3-methylquinoline-8-sulfonate CAS Name: 3-methyl-8-quinolinesulfonic acid [2-fluoro-4-(2-methyl-4-thiazolyl)phenyl] ester IUPAC Name: [2-fluoro-4-(2-methyl-1,3-thiazol-4-yl)phenyl] 3-methylquinoline-8-sulfonate Traditional Name: 3-methylquinoline-8-sulfonic acid [2-fluoro-4-(2-methylthiazol-4-yl)phenyl] ester Formula: C20H15FN2O3S2 MolecularWeight: 414.473103

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C2C(=C1)C=CC=C2S(=O)(=O)OC3=C(C=C(C=C3)C4=CSC(=N4)C)F

Isomeric SMILES

CC1=CN=C2C(=C1)C=CC=C2S(=O)(=O)OC3=C(C=C(C=C3)C4=CSC(=N4)C)F

InChI

InChI=1S/C20H15FN2O3S2/c1-12-8-15-4-3-5-19(20(15)22-10-12)28(24,25)26-18-7-6-14(9-16(18)21)17-11-27-13(2)23-17/h3-11H,1-2H3