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

Systemtic Name: methyl 1-[2-(4-nitrophenyl)sulfanylpropanoylamino]cyclohexane-1-carboxylate Openeye Name: methyl 1-[2-(4-nitrophenyl)sulfanylpropanoylamino]cyclohexanecarboxylate CAS Name: 1-[[2-[(4-nitrophenyl)thio]-1-oxopropyl]amino]-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-(4-nitrophenyl)sulfanylpropanoylamino]cyclohexane-1-carboxylate Traditional Name: 1-[2-[(4-nitrophenyl)thio]propanoylamino]cyclohexanecarboxylic acid methyl ester Formula: C17H22N2O5S MolecularWeight: 366.43198

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1(CCCCC1)C(=O)OC)SC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)NC1(CCCCC1)C(=O)OC)SC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H22N2O5S/c1-12(25-14-8-6-13(7-9-14)19(22)23)15(20)18-17(16(21)24-2)10-4-3-5-11-17/h6-9,12H,3-5,10-11H2,1-2H3,(H,18,20)