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2-[[(3-chloranyl-4-fluoranyl-phenyl)amino]-[(4-methoxyphenyl)methylsulfanyl]methylidene]propanedioate

2-[[(3-chloranyl-4-fluoranyl-phenyl)amino]-[(4-methoxyphenyl)methylsulfanyl]methylidene]propanedioate

Systemtic Name:2-[[(3-chloranyl-4-fluoranyl-phenyl)amino]-[(4-methoxyphenyl)methylsulfanyl]methylidene]propanedioate
Openeye Name:2-[(3-chloro-4-fluoro-anilino)-[(4-methoxyphenyl)methylsulfanyl]methylene]propanedioate
CAS Name:2-[(3-chloro-4-fluoroanilino)-[(4-methoxyphenyl)methylthio]methylidene]propanedioate
IUPAC Name:2-[(3-chloro-4-fluoroanilino)-[(4-methoxyphenyl)methylsulfanyl]methylidene]propanedioate
Traditional Name:2-[(3-chloro-4-fluoro-anilino)-(p-anisylthio)methylene]malonate
Formula: C18H13ClFNO5S-2
MolecularWeight: 409.815923
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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CSC(=C(C(=O)[O-])C(=O)[O-])NC2=CC(=C(C=C2)F)Cl


Isomeric SMILES

COC1=CC=C(C=C1)CSC(=C(C(=O)[O-])C(=O)[O-])NC2=CC(=C(C=C2)F)Cl


InChI

InChI=1S/C18H15ClFNO5S/c1-26-12-5-2-10(3-6-12)9-27-16(15(17(22)23)18(24)25)21-11-4-7-14(20)13(19)8-11/h2-8,21H,9H2,1H3,(H,22,23)(H,24,25)/p-2


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