[3-(5-chloranyl-2-ethenylsulfanyl-phenyl)-1-(naphthalen-2-ylamino)-1-oxidanylidene-propan-2-yl]phosphonic acid

Systemtic Name: [3-(5-chloranyl-2-ethenylsulfanyl-phenyl)-1-(naphthalen-2-ylamino)-1-oxidanylidene-propan-2-yl]phosphonic acid Openeye Name: [1-[(5-chloro-2-vinylsulfanyl-phenyl)methyl]-2-(2-naphthylamino)-2-oxo-ethyl]phosphonic acid CAS Name: [3-[5-chloro-2-(ethenylthio)phenyl]-1-(2-naphthalenylamino)-1-oxopropan-2-yl]phosphonic acid IUPAC Name: [3-(5-chloro-2-ethenylsulfanylphenyl)-1-(naphthalen-2-ylamino)-1-oxopropan-2-yl]phosphonic acid Traditional Name: [1-[5-chloro-2-(vinylthio)benzyl]-2-keto-2-(2-naphthylamino)ethyl]phosphonic acid Formula: C21H19ClNO4PS MolecularWeight: 447.871621

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Descriptors Computed from Structure

Canonical SMILES:

C=CSC1=C(C=C(C=C1)Cl)CC(C(=O)NC2=CC3=CC=CC=C3C=C2)P(=O)(O)O

Isomeric SMILES

C=CSC1=C(C=C(C=C1)Cl)CC(C(=O)NC2=CC3=CC=CC=C3C=C2)P(=O)(O)O

InChI

InChI=1S/C21H19ClNO4PS/c1-2-29-20-10-8-17(22)11-16(20)13-19(28(25,26)27)21(24)23-18-9-7-14-5-3-4-6-15(14)12-18/h2-12,19H,1,13H2,(H,23,24)(H2,25,26,27)