[1-[cyclohexyl(methyl)amino]-1-oxidanylidene-propan-2-yl] 2-(4-nitrophenyl)sulfanylethanoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(C)C1CCCCC1)OC(=O)CSC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)N(C)C1CCCCC1)OC(=O)CSC2=CC=C(C=C2)[N+](=O)[O-]

InChI

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