methyl 1-[2-(4-nitrophenyl)sulfanylethanoylamino]cyclohexane-1-carboxylate

Systemtic Name: methyl 1-[2-(4-nitrophenyl)sulfanylethanoylamino]cyclohexane-1-carboxylate Openeye Name: methyl 1-[[2-(4-nitrophenyl)sulfanylacetyl]amino]cyclohexanecarboxylate CAS Name: 1-[[2-[(4-nitrophenyl)thio]-1-oxoethyl]amino]-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl 1-[[2-(4-nitrophenyl)sulfanylacetyl]amino]cyclohexane-1-carboxylate Traditional Name: 1-[[2-[(4-nitrophenyl)thio]acetyl]amino]cyclohexanecarboxylic acid methyl ester Formula: C16H20N2O5S MolecularWeight: 352.4054

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(CCCCC1)NC(=O)CSC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1(CCCCC1)NC(=O)CSC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H20N2O5S/c1-23-15(20)16(9-3-2-4-10-16)17-14(19)11-24-13-7-5-12(6-8-13)18(21)22/h5-8H,2-4,9-11H2,1H3,(H,17,19)