(2-phenylsulfanylethylamino) 5-chloranyl-8-oxidanyl-2-[(E)-2-phenylethenyl]quinoline-7-sulfinate

Systemtic Name: (2-phenylsulfanylethylamino) 5-chloranyl-8-oxidanyl-2-[(E)-2-phenylethenyl]quinoline-7-sulfinate Openeye Name: (2-phenylsulfanylethylamino) 5-chloro-8-hydroxy-2-[(E)-styryl]quinoline-7-sulfinate CAS Name: 5-chloro-8-hydroxy-2-[(E)-2-phenylethenyl]-7-quinolinesulfinic acid [2-(phenylthio)ethylamino] ester IUPAC Name: (2-phenylsulfanylethylamino) 5-chloro-8-hydroxy-2-[(E)-2-phenylethenyl]quinoline-7-sulfinate Traditional Name: 5-chloro-8-hydroxy-2-[(E)-styryl]quinoline-7-sulfinic acid [2-(phenylthio)ethylamino] ester Formula: C25H21ClN2O3S2 MolecularWeight: 497.02884

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C=CC2=NC3=C(C(=CC(=C3C=C2)Cl)S(=O)ONCCSC4=CC=CC=C4)O

Isomeric SMILES

C1=CC=C(C=C1)/C=C/C2=NC3=C(C(=CC(=C3C=C2)Cl)S(=O)ONCCSC4=CC=CC=C4)O

InChI

InChI=1S/C25H21ClN2O3S2/c26-22-17-23(33(30)31-27-15-16-32-20-9-5-2-6-10-20)25(29)24-21(22)14-13-19(28-24)12-11-18-7-3-1-4-8-18/h1-14,17,27,29H,15-16H2/b12-11+