potassium [(Z)-[7-chloranyl-1-(2-ethylsulfanylpyridin-3-yl)carbonyl-2,3-dihydroquinolin-4-ylidene]amino] sulfate

Systemtic Name: potassium [(Z)-[7-chloranyl-1-(2-ethylsulfanylpyridin-3-yl)carbonyl-2,3-dihydroquinolin-4-ylidene]amino] sulfate Openeye Name: potassium [(Z)-[7-chloro-1-(2-ethylsulfanylpyridine-3-carbonyl)-2,3-dihydroquinolin-4-ylidene]amino] sulfate CAS Name: potassium [(Z)-[7-chloro-1-[[2-(ethylthio)-3-pyridinyl]-oxomethyl]-2,3-dihydroquinolin-4-ylidene]amino] sulfate IUPAC Name: potassium [(Z)-[7-chloro-1-(2-ethylsulfanylpyridine-3-carbonyl)-2,3-dihydroquinolin-4-ylidene]amino] sulfate Traditional Name: potassium [(Z)-[7-chloro-1-[2-(ethylthio)nicotinoyl]-2,3-dihydroquinolin-4-ylidene]amino] sulfate Formula: C17H15ClKN3O5S2 MolecularWeight: 479.9994

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=C(C=CC=N1)C(=O)N2CCC(=NOS(=O)(=O)[O-])C3=C2C=C(C=C3)Cl.[K+]

Isomeric SMILES

CCSC1=C(C=CC=N1)C(=O)N2CC/C(=N/OS(=O)(=O)[O-])/C3=C2C=C(C=C3)Cl.[K+]

InChI

InChI=1S/C17H16ClN3O5S2.K/c1-2-27-16-13(4-3-8-19-16)17(22)21-9-7-14(20-26-28(23,24)25)12-6-5-11(18)10-15(12)21;/h3-6,8,10H,2,7,9H2,1H3,(H,23,24,25);/q;+1/p-1/b20-14-;