[1-(cyclohexylmethylamino)-1-oxidanylidene-propan-2-yl] 2-(4-nitrophenyl)sulfanylethanoate

Systemtic Name: [1-(cyclohexylmethylamino)-1-oxidanylidene-propan-2-yl] 2-(4-nitrophenyl)sulfanylethanoate Openeye Name: [2-(cyclohexylmethylamino)-1-methyl-2-oxo-ethyl] 2-(4-nitrophenyl)sulfanylacetate CAS Name: 2-[(4-nitrophenyl)thio]acetic acid [1-(cyclohexylmethylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(cyclohexylmethylamino)-1-oxopropan-2-yl] 2-(4-nitrophenyl)sulfanylacetate Traditional Name: 2-[(4-nitrophenyl)thio]acetic acid [2-(cyclohexylmethylamino)-2-keto-1-methyl-ethyl] ester Formula: C18H24N2O5S MolecularWeight: 380.45856

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1CCCCC1)OC(=O)CSC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)NCC1CCCCC1)OC(=O)CSC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C18H24N2O5S/c1-13(18(22)19-11-14-5-3-2-4-6-14)25-17(21)12-26-16-9-7-15(8-10-16)20(23)24/h7-10,13-14H,2-6,11-12H2,1H3,(H,19,22)