1-ethyl-6-methylsulfanyl-4-oxidanylidene-7-piperazin-1-yl-quinoline-3-carboxylic acid

Systemtic Name: 1-ethyl-6-methylsulfanyl-4-oxidanylidene-7-piperazin-1-yl-quinoline-3-carboxylic acid Openeye Name: 1-ethyl-6-methylsulfanyl-4-oxo-7-piperazin-1-yl-quinoline-3-carboxylic acid CAS Name: 1-ethyl-6-(methylthio)-4-oxo-7-(1-piperazinyl)-3-quinolinecarboxylic acid IUPAC Name: 1-ethyl-6-methylsulfanyl-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid Traditional Name: 1-ethyl-4-keto-6-(methylthio)-7-piperazino-quinoline-3-carboxylic acid Formula: C17H21N3O3S MolecularWeight: 347.43194

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCNCC3)SC)C(=O)O

Isomeric SMILES

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCNCC3)SC)C(=O)O

InChI

InChI=1S/C17H21N3O3S/c1-3-19-10-12(17(22)23)16(21)11-8-15(24-2)14(9-13(11)19)20-6-4-18-5-7-20/h8-10,18H,3-7H2,1-2H3,(H,22,23)