3-(3,4-dihydro-2H-thiochromen-4-ylamino)-4-fluoranyl-benzoic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC2=CC=CC=C2C1NC3=C(C=CC(=C3)C(=O)O)F

Isomeric SMILES

C1CSC2=CC=CC=C2C1NC3=C(C=CC(=C3)C(=O)O)F

InChI

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