ethyl 2-azanyl-3-[4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]benzoate

Systemtic Name: ethyl 2-azanyl-3-[4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]benzoate Openeye Name: ethyl 2-amino-3-[4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)thiazol-2-yl]benzoate CAS Name: 2-amino-3-[4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-2-thiazolyl]benzoic acid ethyl ester IUPAC Name: ethyl 2-amino-3-[4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]benzoate Traditional Name: 2-amino-3-[4-(4-fluorophenyl)-5-(4-mesylphenyl)thiazol-2-yl]benzoic acid ethyl ester Formula: C25H21FN2O4S2 MolecularWeight: 496.573643

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=CC(=C1N)C2=NC(=C(S2)C3=CC=C(C=C3)S(=O)(=O)C)C4=CC=C(C=C4)F

Isomeric SMILES

CCOC(=O)C1=CC=CC(=C1N)C2=NC(=C(S2)C3=CC=C(C=C3)S(=O)(=O)C)C4=CC=C(C=C4)F

InChI

InChI=1S/C25H21FN2O4S2/c1-3-32-25(29)20-6-4-5-19(21(20)27)24-28-22(15-7-11-17(26)12-8-15)23(33-24)16-9-13-18(14-10-16)34(2,30)31/h4-14H,3,27H2,1-2H3