[4-(2-chloranyl-4-nitro-phenyl)sulfanylphenyl]methyl 2-(furan-2-ylcarbonylamino)ethanoate

Systemtic Name: [4-(2-chloranyl-4-nitro-phenyl)sulfanylphenyl]methyl 2-(furan-2-ylcarbonylamino)ethanoate Openeye Name: [4-(2-chloro-4-nitro-phenyl)sulfanylphenyl]methyl 2-(furan-2-carbonylamino)acetate CAS Name: 2-[[2-furanyl(oxo)methyl]amino]acetic acid [4-[(2-chloro-4-nitrophenyl)thio]phenyl]methyl ester IUPAC Name: [4-(2-chloro-4-nitrophenyl)sulfanylphenyl]methyl 2-(furan-2-carbonylamino)acetate Traditional Name: 2-(2-furoylamino)acetic acid [4-[(2-chloro-4-nitro-phenyl)thio]benzyl] ester Formula: C20H15ClN2O6S MolecularWeight: 446.8609

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Descriptors Computed from Structure

Canonical SMILES:

C1=COC(=C1)C(=O)NCC(=O)OCC2=CC=C(C=C2)SC3=C(C=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

C1=COC(=C1)C(=O)NCC(=O)OCC2=CC=C(C=C2)SC3=C(C=C(C=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C20H15ClN2O6S/c21-16-10-14(23(26)27)5-8-18(16)30-15-6-3-13(4-7-15)12-29-19(24)11-22-20(25)17-2-1-9-28-17/h1-10H,11-12H2,(H,22,25)