methyl 1-[2-(4-aminocarbonyl-2-nitro-phenyl)sulfanylethanoylamino]cyclohexane-1-carboxylate

Systemtic Name: methyl 1-[2-(4-aminocarbonyl-2-nitro-phenyl)sulfanylethanoylamino]cyclohexane-1-carboxylate Openeye Name: methyl 1-[[2-(4-carbamoyl-2-nitro-phenyl)sulfanylacetyl]amino]cyclohexanecarboxylate CAS Name: 1-[[2-[(4-carbamoyl-2-nitrophenyl)thio]-1-oxoethyl]amino]-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl 1-[[2-(4-carbamoyl-2-nitrophenyl)sulfanylacetyl]amino]cyclohexane-1-carboxylate Traditional Name: 1-[[2-[(4-carbamoyl-2-nitro-phenyl)thio]acetyl]amino]cyclohexanecarboxylic acid methyl ester Formula: C17H21N3O6S MolecularWeight: 395.43014

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21N3O6S/c1-26-16(23)17(7-3-2-4-8-17)19-14(21)10-27-13-6-5-11(15(18)22)9-12(13)20(24)25/h5-6,9H,2-4,7-8,10H2,1H3,(H2,18,22)(H,19,21)