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

Systemtic Name: 1-cyclopropyl-7-[3-(ethylsulfanylmethyl)pyrrolidin-1-yl]-6,8-bis(fluoranyl)-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-cyclopropyl-7-[3-(ethylsulfanylmethyl)pyrrolidin-1-yl]-6,8-difluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-cyclopropyl-7-[3-[(ethylthio)methyl]-1-pyrrolidinyl]-6,8-difluoro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-cyclopropyl-7-[3-(ethylsulfanylmethyl)pyrrolidin-1-yl]-6,8-difluoro-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-cyclopropyl-7-[3-[(ethylthio)methyl]pyrrolidino]-6,8-difluoro-4-keto-quinoline-3-carboxylic acid Formula: C20H22F2N2O3S MolecularWeight: 408.462086

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Descriptors Computed from Structure

Canonical SMILES:

CCSCC1CCN(C1)C2=C(C=C3C(=C2F)N(C=C(C3=O)C(=O)O)C4CC4)F

Isomeric SMILES

CCSCC1CCN(C1)C2=C(C=C3C(=C2F)N(C=C(C3=O)C(=O)O)C4CC4)F

InChI

InChI=1S/C20H22F2N2O3S/c1-2-28-10-11-5-6-23(8-11)18-15(21)7-13-17(16(18)22)24(12-3-4-12)9-14(19(13)25)20(26)27/h7,9,11-12H,2-6,8,10H2,1H3,(H,26,27)