[1-[(2-chloranyl-4-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] 2-[(4-tert-butylphenyl)carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: [1-[(2-chloranyl-4-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] 2-[(4-tert-butylphenyl)carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: [2-(2-chloro-4-nitro-anilino)-1-methyl-2-oxo-ethyl] 2-[(4-tert-butylbenzoyl)amino]-4-methylsulfanyl-butanoate CAS Name: 2-[[(4-tert-butylphenyl)-oxomethyl]amino]-4-(methylthio)butanoic acid [1-(2-chloro-4-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2-chloro-4-nitroanilino)-1-oxopropan-2-yl] 2-[(4-tert-butylbenzoyl)amino]-4-methylsulfanylbutanoate Traditional Name: 2-[(4-tert-butylbenzoyl)amino]-4-(methylthio)butyric acid [2-(2-chloro-4-nitro-anilino)-2-keto-1-methyl-ethyl] ester Formula: C25H30ClN3O6S MolecularWeight: 536.0402

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])Cl)OC(=O)C(CCSC)NC(=O)C2=CC=C(C=C2)C(C)(C)C

Isomeric SMILES

CC(C(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])Cl)OC(=O)C(CCSC)NC(=O)C2=CC=C(C=C2)C(C)(C)C

InChI

InChI=1S/C25H30ClN3O6S/c1-15(22(30)27-20-11-10-18(29(33)34)14-19(20)26)35-24(32)21(12-13-36-5)28-23(31)16-6-8-17(9-7-16)25(2,3)4/h6-11,14-15,21H,12-13H2,1-5H3,(H,27,30)(H,28,31)