[2-[cyclohexyl(ethyl)amino]-2-oxidanylidene-ethyl] 2-(4-aminocarbonyl-2-nitro-phenyl)sulfanylethanoate

Systemtic Name: [2-[cyclohexyl(ethyl)amino]-2-oxidanylidene-ethyl] 2-(4-aminocarbonyl-2-nitro-phenyl)sulfanylethanoate Openeye Name: [2-[cyclohexyl(ethyl)amino]-2-oxo-ethyl] 2-(4-carbamoyl-2-nitro-phenyl)sulfanylacetate CAS Name: 2-[(4-carbamoyl-2-nitrophenyl)thio]acetic acid [2-[cyclohexyl(ethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 2-(4-carbamoyl-2-nitrophenyl)sulfanylacetate Traditional Name: 2-[(4-carbamoyl-2-nitro-phenyl)thio]acetic acid [2-[cyclohexyl(ethyl)amino]-2-keto-ethyl] ester Formula: C19H25N3O6S MolecularWeight: 423.4833

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1CCCCC1)C(=O)COC(=O)CSC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

CCN(C1CCCCC1)C(=O)COC(=O)CSC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C19H25N3O6S/c1-2-21(14-6-4-3-5-7-14)17(23)11-28-18(24)12-29-16-9-8-13(19(20)25)10-15(16)22(26)27/h8-10,14H,2-7,11-12H2,1H3,(H2,20,25)