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

Systemtic Name: 3-(3,4-dihydro-1H-isothiochromen-4-ylamino)-4-fluoranyl-benzoic acid Openeye Name: 4-fluoro-3-(isothiochroman-4-ylamino)benzoic acid CAS Name: 3-(3,4-dihydro-1H-2-benzothiopyran-4-ylamino)-4-fluorobenzoic acid IUPAC Name: 3-(3,4-dihydro-1H-isothiochromen-4-ylamino)-4-fluorobenzoic acid Traditional Name: 4-fluoro-3-(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=C(C=CC(=C3)C(=O)O)F

Isomeric SMILES

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

InChI

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