methyl 2-methyl-2-[3-[[5-(4-nitrophenyl)furan-2-yl]methoxy]phenyl]sulfanyl-propanoate

Systemtic Name: methyl 2-methyl-2-[3-[[5-(4-nitrophenyl)furan-2-yl]methoxy]phenyl]sulfanyl-propanoate Openeye Name: methyl 2-methyl-2-[3-[[5-(4-nitrophenyl)-2-furyl]methoxy]phenyl]sulfanyl-propanoate CAS Name: 2-methyl-2-[[3-[[5-(4-nitrophenyl)-2-furanyl]methoxy]phenyl]thio]propanoic acid methyl ester IUPAC Name: methyl 2-methyl-2-[3-[[5-(4-nitrophenyl)furan-2-yl]methoxy]phenyl]sulfanylpropanoate Traditional Name: 2-methyl-2-[[3-[[5-(4-nitrophenyl)-2-furyl]methoxy]phenyl]thio]propionic acid methyl ester Formula: C22H21NO6S MolecularWeight: 427.47024

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)OC)SC1=CC=CC(=C1)OCC2=CC=C(O2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C(=O)OC)SC1=CC=CC(=C1)OCC2=CC=C(O2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H21NO6S/c1-22(2,21(24)27-3)30-19-6-4-5-17(13-19)28-14-18-11-12-20(29-18)15-7-9-16(10-8-15)23(25)26/h4-13H,14H2,1-3H3