[2-(cyclohexylcarbamoylamino)-2-oxidanylidene-ethyl] (2R)-2-(4-nitrophenyl)sulfanylpropanoate

Systemtic Name: [2-(cyclohexylcarbamoylamino)-2-oxidanylidene-ethyl] (2R)-2-(4-nitrophenyl)sulfanylpropanoate Openeye Name: [2-(cyclohexylcarbamoylamino)-2-oxo-ethyl] (2R)-2-(4-nitrophenyl)sulfanylpropanoate CAS Name: (2R)-2-[(4-nitrophenyl)thio]propanoic acid [2-[[(cyclohexylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(cyclohexylcarbamoylamino)-2-oxoethyl] (2R)-2-(4-nitrophenyl)sulfanylpropanoate Traditional Name: (2R)-2-[(4-nitrophenyl)thio]propionic acid [2-(cyclohexylcarbamoylamino)-2-keto-ethyl] ester Formula: C18H23N3O6S MolecularWeight: 409.45672

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC(=O)NC(=O)NC1CCCCC1)SC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C[C@H](C(=O)OCC(=O)NC(=O)NC1CCCCC1)SC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C18H23N3O6S/c1-12(28-15-9-7-14(8-10-15)21(25)26)17(23)27-11-16(22)20-18(24)19-13-5-3-2-4-6-13/h7-10,12-13H,2-6,11H2,1H3,(H2,19,20,22,24)/t12-/m1/s1