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

Systemtic Name: [2-(cyclohexylmethylamino)-2-oxidanylidene-ethyl] 2-(4-aminocarbonyl-2-nitro-phenyl)sulfanylethanoate Openeye Name: [2-(cyclohexylmethylamino)-2-oxo-ethyl] 2-(4-carbamoyl-2-nitro-phenyl)sulfanylacetate CAS Name: 2-[(4-carbamoyl-2-nitrophenyl)thio]acetic acid [2-(cyclohexylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(cyclohexylmethylamino)-2-oxoethyl] 2-(4-carbamoyl-2-nitrophenyl)sulfanylacetate Traditional Name: 2-[(4-carbamoyl-2-nitro-phenyl)thio]acetic acid [2-(cyclohexylmethylamino)-2-keto-ethyl] ester Formula: C18H23N3O6S MolecularWeight: 409.45672

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CNC(=O)COC(=O)CSC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

C1CCC(CC1)CNC(=O)COC(=O)CSC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C18H23N3O6S/c19-18(24)13-6-7-15(14(8-13)21(25)26)28-11-17(23)27-10-16(22)20-9-12-4-2-1-3-5-12/h6-8,12H,1-5,9-11H2,(H2,19,24)(H,20,22)