methyl 2-cyclobutyl-2-isocyanato-6-methylsulfanyl-3-(4-nitrophenyl)hexanoate

Systemtic Name: methyl 2-cyclobutyl-2-isocyanato-6-methylsulfanyl-3-(4-nitrophenyl)hexanoate Openeye Name: methyl 2-cyclobutyl-2-isocyanato-6-methylsulfanyl-3-(4-nitrophenyl)hexanoate CAS Name: 2-cyclobutyl-2-isocyanato-6-(methylthio)-3-(4-nitrophenyl)hexanoic acid methyl ester IUPAC Name: methyl 2-cyclobutyl-2-isocyanato-6-methylsulfanyl-3-(4-nitrophenyl)hexanoate Traditional Name: 2-cyclobutyl-2-isocyanato-6-(methylthio)-3-(4-nitrophenyl)hexanoic acid methyl ester Formula: C19H24N2O5S MolecularWeight: 392.46926

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C1CCC1)(C(CCCSC)C2=CC=C(C=C2)[N+](=O)[O-])N=C=O

Isomeric SMILES

COC(=O)C(C1CCC1)(C(CCCSC)C2=CC=C(C=C2)[N+](=O)[O-])N=C=O

InChI

InChI=1S/C19H24N2O5S/c1-26-18(23)19(20-13-22,15-5-3-6-15)17(7-4-12-27-2)14-8-10-16(11-9-14)21(24)25/h8-11,15,17H,3-7,12H2,1-2H3