7-(3-azanyl-4-methylsulfanyl-pyrrolidin-1-yl)-1-cyclopropyl-6,8-bis(fluoranyl)-4-oxidanylidene-quinoline-3-carboxylic acid; 4-methylsulfanylpyrrolidin-3-amine

Systemtic Name: 7-(3-azanyl-4-methylsulfanyl-pyrrolidin-1-yl)-1-cyclopropyl-6,8-bis(fluoranyl)-4-oxidanylidene-quinoline-3-carboxylic acid; 4-methylsulfanylpyrrolidin-3-amine Openeye Name: 7-(3-amino-4-methylsulfanyl-pyrrolidin-1-yl)-1-cyclopropyl-6,8-difluoro-4-oxo-quinoline-3-carboxylic acid; 4-methylsulfanylpyrrolidin-3-amine CAS Name: 7-[3-amino-4-(methylthio)-1-pyrrolidinyl]-1-cyclopropyl-6,8-difluoro-4-oxo-3-quinolinecarboxylic acid; 4-(methylthio)-3-pyrrolidinamine IUPAC Name: 7-(3-amino-4-methylsulfanylpyrrolidin-1-yl)-1-cyclopropyl-6,8-difluoro-4-oxoquinoline-3-carboxylic acid; 4-methylsulfanylpyrrolidin-3-amine Traditional Name: 7-[3-amino-4-(methylthio)pyrrolidino]-1-cyclopropyl-6,8-difluoro-4-keto-quinoline-3-carboxylic acid; [4-(methylthio)pyrrolidin-3-yl]amine Formula: C23H31F2N5O3S2 MolecularWeight: 527.650746

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Descriptors Computed from Structure

Canonical SMILES:

CSC1CNCC1N.CSC1CN(CC1N)C2=C(C=C3C(=C2F)N(C=C(C3=O)C(=O)O)C4CC4)F

Isomeric SMILES

CSC1CNCC1N.CSC1CN(CC1N)C2=C(C=C3C(=C2F)N(C=C(C3=O)C(=O)O)C4CC4)F

InChI

InChI=1S/C18H19F2N3O3S.C5H12N2S/c1-27-13-7-22(6-12(13)21)16-11(19)4-9-15(14(16)20)23(8-2-3-8)5-10(17(9)24)18(25)26;1-8-5-3-7-2-4(5)6/h4-5,8,12-13H,2-3,6-7,21H2,1H3,(H,25,26);4-5,7H,2-3,6H2,1H3