[2-oxidanylidene-2-[(2-prop-2-enylsulfanylphenyl)amino]ethyl] (E)-3-(4-chloranyl-3-nitro-phenyl)prop-2-enoate

Systemtic Name: [2-oxidanylidene-2-[(2-prop-2-enylsulfanylphenyl)amino]ethyl] (E)-3-(4-chloranyl-3-nitro-phenyl)prop-2-enoate Openeye Name: [2-(2-allylsulfanylanilino)-2-oxo-ethyl] (E)-3-(4-chloro-3-nitro-phenyl)prop-2-enoate CAS Name: (E)-3-(4-chloro-3-nitrophenyl)-2-propenoic acid [2-oxo-2-[2-(prop-2-enylthio)anilino]ethyl] ester IUPAC Name: [2-oxo-2-(2-prop-2-enylsulfanylanilino)ethyl] (E)-3-(4-chloro-3-nitrophenyl)prop-2-enoate Traditional Name: (E)-3-(4-chloro-3-nitro-phenyl)acrylic acid [2-[2-(allylthio)anilino]-2-keto-ethyl] ester Formula: C20H17ClN2O5S MolecularWeight: 432.87738

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Descriptors Computed from Structure

Canonical SMILES:

C=CCSC1=CC=CC=C1NC(=O)COC(=O)C=CC2=CC(=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

C=CCSC1=CC=CC=C1NC(=O)COC(=O)/C=C/C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C20H17ClN2O5S/c1-2-11-29-18-6-4-3-5-16(18)22-19(24)13-28-20(25)10-8-14-7-9-15(21)17(12-14)23(26)27/h2-10,12H,1,11,13H2,(H,22,24)/b10-8+