7-[(3S)-3-azanylpyrrolidin-1-yl]-1-cyclopropyl-6-fluoranyl-8-methylsulfanyl-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 7-[(3S)-3-azanylpyrrolidin-1-yl]-1-cyclopropyl-6-fluoranyl-8-methylsulfanyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-[(3S)-3-aminopyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methylsulfanyl-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-[(3S)-3-amino-1-pyrrolidinyl]-1-cyclopropyl-6-fluoro-8-(methylthio)-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-[(3S)-3-aminopyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methylsulfanyl-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-[(3S)-3-aminopyrrolidino]-1-cyclopropyl-6-fluoro-4-keto-8-(methylthio)quinoline-3-carboxylic acid Formula: C18H20FN3O3S MolecularWeight: 377.433103

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C2C(=CC(=C1N3CCC(C3)N)F)C(=O)C(=CN2C4CC4)C(=O)O

Isomeric SMILES

CSC1=C2C(=CC(=C1N3CC[C@@H](C3)N)F)C(=O)C(=CN2C4CC4)C(=O)O

InChI

InChI=1S/C18H20FN3O3S/c1-26-17-14-11(6-13(19)15(17)21-5-4-9(20)7-21)16(23)12(18(24)25)8-22(14)10-2-3-10/h6,8-10H,2-5,7,20H2,1H3,(H,24,25)/t9-/m0/s1