2-(3-azanylpropylsulfanyl)-8-chloranyl-1-cyclopropyl-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 2-(3-azanylpropylsulfanyl)-8-chloranyl-1-cyclopropyl-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 2-(3-aminopropylsulfanyl)-8-chloro-1-cyclopropyl-6-fluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 2-(3-aminopropylthio)-8-chloro-1-cyclopropyl-6-fluoro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 2-(3-aminopropylsulfanyl)-8-chloro-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid Traditional Name: 2-(3-aminopropylthio)-8-chloro-1-cyclopropyl-6-fluoro-4-keto-quinoline-3-carboxylic acid Formula: C16H16ClFN2O3S MolecularWeight: 370.826243

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C3=C(C=C(C=C3C(=O)C(=C2SCCCN)C(=O)O)F)Cl

Isomeric SMILES

C1CC1N2C3=C(C=C(C=C3C(=O)C(=C2SCCCN)C(=O)O)F)Cl

InChI

InChI=1S/C16H16ClFN2O3S/c17-11-7-8(18)6-10-13(11)20(9-2-3-9)15(24-5-1-4-19)12(14(10)21)16(22)23/h6-7,9H,1-5,19H2,(H,22,23)