6-azanyl-7-(2-azanylethylsulfanyl)-1-cyclopropyl-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 6-azanyl-7-(2-azanylethylsulfanyl)-1-cyclopropyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 6-amino-7-(2-aminoethylsulfanyl)-1-cyclopropyl-4-oxo-quinoline-3-carboxylic acid CAS Name: 6-amino-7-(2-aminoethylthio)-1-cyclopropyl-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 6-amino-7-(2-aminoethylsulfanyl)-1-cyclopropyl-4-oxoquinoline-3-carboxylic acid Traditional Name: 6-amino-7-(2-aminoethylthio)-1-cyclopropyl-4-keto-quinoline-3-carboxylic acid Formula: C15H17N3O3S MolecularWeight: 319.37878

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)SCCN)N)C(=O)O

Isomeric SMILES

C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)SCCN)N)C(=O)O

InChI

InChI=1S/C15H17N3O3S/c16-3-4-22-13-6-12-9(5-11(13)17)14(19)10(15(20)21)7-18(12)8-1-2-8/h5-8H,1-4,16-17H2,(H,20,21)