4-[(8-fluoranyl-3,4-dihydro-2H-thiochromen-4-yl)amino]benzoic acid

Systemtic Name: 4-[(8-fluoranyl-3,4-dihydro-2H-thiochromen-4-yl)amino]benzoic acid Openeye Name: 4-[(8-fluorothiochroman-4-yl)amino]benzoic acid CAS Name: 4-[(8-fluoro-3,4-dihydro-2H-1-benzothiopyran-4-yl)amino]benzoic acid IUPAC Name: 4-[(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)amino]benzoic acid Traditional Name: 4-[(8-fluorothiochroman-4-yl)amino]benzoic acid Formula: C16H14FNO2S MolecularWeight: 303.351263

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC2=C(C1NC3=CC=C(C=C3)C(=O)O)C=CC=C2F

Isomeric SMILES

C1CSC2=C(C1NC3=CC=C(C=C3)C(=O)O)C=CC=C2F

InChI

InChI=1S/C16H14FNO2S/c17-13-3-1-2-12-14(8-9-21-15(12)13)18-11-6-4-10(5-7-11)16(19)20/h1-7,14,18H,8-9H2,(H,19,20)