ethyl 2-fluoranyl-4-[(2,2,4,4-tetramethyl-3H-thiochromen-6-yl)carbamoyl]benzoate

Systemtic Name: ethyl 2-fluoranyl-4-[(2,2,4,4-tetramethyl-3H-thiochromen-6-yl)carbamoyl]benzoate Openeye Name: ethyl 2-fluoro-4-[(2,2,4,4-tetramethylthiochroman-6-yl)carbamoyl]benzoate CAS Name: 2-fluoro-4-[oxo-[(2,2,4,4-tetramethyl-3H-1-benzothiopyran-6-yl)amino]methyl]benzoic acid ethyl ester IUPAC Name: ethyl 2-fluoro-4-[(2,2,4,4-tetramethyl-3H-thiochromen-6-yl)carbamoyl]benzoate Traditional Name: 2-fluoro-4-[(2,2,4,4-tetramethylthiochroman-6-yl)carbamoyl]benzoic acid ethyl ester Formula: C23H26FNO3S MolecularWeight: 415.520843

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C(C=C1)C(=O)NC2=CC3=C(C=C2)SC(CC3(C)C)(C)C)F

Isomeric SMILES

CCOC(=O)C1=C(C=C(C=C1)C(=O)NC2=CC3=C(C=C2)SC(CC3(C)C)(C)C)F

InChI

InChI=1S/C23H26FNO3S/c1-6-28-21(27)16-9-7-14(11-18(16)24)20(26)25-15-8-10-19-17(12-15)22(2,3)13-23(4,5)29-19/h7-12H,6,13H2,1-5H3,(H,25,26)