7-[3-azanyl-4-(methylsulfanylmethyl)pyrrolidin-1-yl]-1-cyclobutyl-6,8-bis(fluoranyl)-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 7-[3-azanyl-4-(methylsulfanylmethyl)pyrrolidin-1-yl]-1-cyclobutyl-6,8-bis(fluoranyl)-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-[3-amino-4-(methylsulfanylmethyl)pyrrolidin-1-yl]-1-cyclobutyl-6,8-difluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-[3-amino-4-[(methylthio)methyl]-1-pyrrolidinyl]-1-cyclobutyl-6,8-difluoro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-[3-amino-4-(methylsulfanylmethyl)pyrrolidin-1-yl]-1-cyclobutyl-6,8-difluoro-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-[3-amino-4-[(methylthio)methyl]pyrrolidino]-1-cyclobutyl-6,8-difluoro-4-keto-quinoline-3-carboxylic acid Formula: C20H23F2N3O3S MolecularWeight: 423.476726

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Descriptors Computed from Structure

Canonical SMILES:

CSCC1CN(CC1N)C2=C(C=C3C(=C2F)N(C=C(C3=O)C(=O)O)C4CCC4)F

Isomeric SMILES

CSCC1CN(CC1N)C2=C(C=C3C(=C2F)N(C=C(C3=O)C(=O)O)C4CCC4)F

InChI

InChI=1S/C20H23F2N3O3S/c1-29-9-10-6-24(8-15(10)23)18-14(21)5-12-17(16(18)22)25(11-3-2-4-11)7-13(19(12)26)20(27)28/h5,7,10-11,15H,2-4,6,8-9,23H2,1H3,(H,27,28)