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

Systemtic Name: 2-fluoranyl-4-[(2,2,4,4-tetramethyl-3H-thiochromen-6-yl)carbamoyl]benzoic acid Openeye Name: 2-fluoro-4-[(2,2,4,4-tetramethylthiochroman-6-yl)carbamoyl]benzoic acid CAS Name: 2-fluoro-4-[oxo-[(2,2,4,4-tetramethyl-3H-1-benzothiopyran-6-yl)amino]methyl]benzoic acid IUPAC Name: 2-fluoro-4-[(2,2,4,4-tetramethyl-3H-thiochromen-6-yl)carbamoyl]benzoic acid Traditional Name: 2-fluoro-4-[(2,2,4,4-tetramethylthiochroman-6-yl)carbamoyl]benzoic acid Formula: C21H22FNO3S MolecularWeight: 387.467683

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(SC2=C1C=C(C=C2)NC(=O)C3=CC(=C(C=C3)C(=O)O)F)(C)C)C

Isomeric SMILES

CC1(CC(SC2=C1C=C(C=C2)NC(=O)C3=CC(=C(C=C3)C(=O)O)F)(C)C)C

InChI

InChI=1S/C21H22FNO3S/c1-20(2)11-21(3,4)27-17-8-6-13(10-15(17)20)23-18(24)12-5-7-14(19(25)26)16(22)9-12/h5-10H,11H2,1-4H3,(H,23,24)(H,25,26)