[2-[(2-ethyl-6-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 2-[(4-methylsulfanyl-3-nitro-phenyl)sulfonylamino]ethanoate

Systemtic Name: [2-[(2-ethyl-6-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 2-[(4-methylsulfanyl-3-nitro-phenyl)sulfonylamino]ethanoate Openeye Name: [2-(2-ethyl-6-methyl-anilino)-2-oxo-ethyl] 2-[(4-methylsulfanyl-3-nitro-phenyl)sulfonylamino]acetate CAS Name: 2-[[4-(methylthio)-3-nitrophenyl]sulfonylamino]acetic acid [2-(2-ethyl-6-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2-[(4-methylsulfanyl-3-nitrophenyl)sulfonylamino]acetate Traditional Name: 2-[[4-(methylthio)-3-nitro-phenyl]sulfonylamino]acetic acid [2-(2-ethyl-6-methyl-anilino)-2-keto-ethyl] ester Formula: C20H23N3O7S2 MolecularWeight: 481.54252

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)COC(=O)CNS(=O)(=O)C2=CC(=C(C=C2)SC)[N+](=O)[O-])C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)COC(=O)CNS(=O)(=O)C2=CC(=C(C=C2)SC)[N+](=O)[O-])C

InChI

InChI=1S/C20H23N3O7S2/c1-4-14-7-5-6-13(2)20(14)22-18(24)12-30-19(25)11-21-32(28,29)15-8-9-17(31-3)16(10-15)23(26)27/h5-10,21H,4,11-12H2,1-3H3,(H,22,24)