(2-phenylsulfanylethylamino) 5-chloranyl-2-methyl-8-oxidanyl-quinoline-7-sulfinate

Systemtic Name: (2-phenylsulfanylethylamino) 5-chloranyl-2-methyl-8-oxidanyl-quinoline-7-sulfinate Openeye Name: (2-phenylsulfanylethylamino) 5-chloro-8-hydroxy-2-methyl-quinoline-7-sulfinate CAS Name: 5-chloro-8-hydroxy-2-methyl-7-quinolinesulfinic acid [2-(phenylthio)ethylamino] ester IUPAC Name: (2-phenylsulfanylethylamino) 5-chloro-8-hydroxy-2-methylquinoline-7-sulfinate Traditional Name: 5-chloro-8-hydroxy-2-methyl-quinoline-7-sulfinic acid [2-(phenylthio)ethylamino] ester Formula: C18H17ClN2O3S2 MolecularWeight: 408.92218

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(=CC(=C2C=C1)Cl)S(=O)ONCCSC3=CC=CC=C3)O

Isomeric SMILES

CC1=NC2=C(C(=CC(=C2C=C1)Cl)S(=O)ONCCSC3=CC=CC=C3)O

InChI

InChI=1S/C18H17ClN2O3S2/c1-12-7-8-14-15(19)11-16(18(22)17(14)21-12)26(23)24-20-9-10-25-13-5-3-2-4-6-13/h2-8,11,20,22H,9-10H2,1H3