5-(3,4-dihydro-1H-isothiochromen-4-ylamino)-2-fluoranyl-benzoic acid

Systemtic Name: 5-(3,4-dihydro-1H-isothiochromen-4-ylamino)-2-fluoranyl-benzoic acid Openeye Name: 2-fluoro-5-(isothiochroman-4-ylamino)benzoic acid CAS Name: 5-(3,4-dihydro-1H-2-benzothiopyran-4-ylamino)-2-fluorobenzoic acid IUPAC Name: 5-(3,4-dihydro-1H-isothiochromen-4-ylamino)-2-fluorobenzoic acid Traditional Name: 2-fluoro-5-(isothiochroman-4-ylamino)benzoic acid Formula: C16H14FNO2S MolecularWeight: 303.351263

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C2=CC=CC=C2CS1)NC3=CC(=C(C=C3)F)C(=O)O

Isomeric SMILES

C1C(C2=CC=CC=C2CS1)NC3=CC(=C(C=C3)F)C(=O)O

InChI

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