[1-(cyclohexylamino)-1-oxidanylidene-propan-2-yl] 2-(4-nitrophenyl)sulfanylpropanoate

Systemtic Name: [1-(cyclohexylamino)-1-oxidanylidene-propan-2-yl] 2-(4-nitrophenyl)sulfanylpropanoate Openeye Name: [2-(cyclohexylamino)-1-methyl-2-oxo-ethyl] 2-(4-nitrophenyl)sulfanylpropanoate CAS Name: 2-[(4-nitrophenyl)thio]propanoic acid [1-(cyclohexylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(cyclohexylamino)-1-oxopropan-2-yl] 2-(4-nitrophenyl)sulfanylpropanoate Traditional Name: 2-[(4-nitrophenyl)thio]propionic acid [2-(cyclohexylamino)-2-keto-1-methyl-ethyl] ester Formula: C18H24N2O5S MolecularWeight: 380.45856

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CCCCC1)OC(=O)C(C)SC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)NC1CCCCC1)OC(=O)C(C)SC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C18H24N2O5S/c1-12(17(21)19-14-6-4-3-5-7-14)25-18(22)13(2)26-16-10-8-15(9-11-16)20(23)24/h8-14H,3-7H2,1-2H3,(H,19,21)