1-ethyl-7-(3-methyl-2-methylsulfanyl-1,3-thiazol-3-ium-4-yl)-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 1-ethyl-7-(3-methyl-2-methylsulfanyl-1,3-thiazol-3-ium-4-yl)-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-ethyl-7-(3-methyl-2-methylsulfanyl-thiazol-3-ium-4-yl)-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-ethyl-7-[3-methyl-2-(methylthio)-4-thiazol-3-iumyl]-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-ethyl-7-(3-methyl-2-methylsulfanyl-1,3-thiazol-3-ium-4-yl)-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-ethyl-4-keto-7-[3-methyl-2-(methylthio)thiazol-3-ium-4-yl]quinoline-3-carboxylic acid Formula: C17H17N2O3S2+ MolecularWeight: 361.45848

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=C1C=C(C=C2)C3=CSC(=[N+]3C)SC)C(=O)O

Isomeric SMILES

CCN1C=C(C(=O)C2=C1C=C(C=C2)C3=CSC(=[N+]3C)SC)C(=O)O

InChI

InChI=1S/C17H16N2O3S2/c1-4-19-8-12(16(21)22)15(20)11-6-5-10(7-13(11)19)14-9-24-17(23-3)18(14)2/h5-9H,4H2,1-3H3/p+1