7-[(7S)-7-azanyl-5-azaspiro[2.4]heptan-5-yl]-6-fluoranyl-4-oxidanylidene-thiochromene-3-carboxylic acid

Systemtic Name: 7-[(7S)-7-azanyl-5-azaspiro[2.4]heptan-5-yl]-6-fluoranyl-4-oxidanylidene-thiochromene-3-carboxylic acid Openeye Name: 7-[(7S)-7-amino-5-azaspiro[2.4]heptan-5-yl]-6-fluoro-4-oxo-thiochromene-3-carboxylic acid CAS Name: 7-[(7S)-7-amino-5-azaspiro[2.4]heptan-5-yl]-6-fluoro-4-oxo-1-benzothiopyran-3-carboxylic acid IUPAC Name: 7-[(7S)-7-amino-5-azaspiro[2.4]heptan-5-yl]-6-fluoro-4-oxothiochromene-3-carboxylic acid Traditional Name: 7-[(7S)-7-amino-5-azaspiro[2.4]heptan-5-yl]-6-fluoro-4-keto-thiochromene-3-carboxylic acid Formula: C16H15FN2O3S MolecularWeight: 334.365303

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Descriptors Computed from Structure

Canonical SMILES:

C1CC12CN(CC2N)C3=C(C=C4C(=C3)SC=C(C4=O)C(=O)O)F

Isomeric SMILES

C1CC12CN(C[C@H]2N)C3=C(C=C4C(=C3)SC=C(C4=O)C(=O)O)F

InChI

InChI=1S/C16H15FN2O3S/c17-10-3-8-12(23-6-9(14(8)20)15(21)22)4-11(10)19-5-13(18)16(7-19)1-2-16/h3-4,6,13H,1-2,5,7,18H2,(H,21,22)/t13-/m1/s1