ethyl 4-[2-[3-methyl-1-[(2-methyl-4-nitro-phenyl)amino]-1-oxidanylidene-butan-2-yl]sulfanylethanoylamino]benzoate

Systemtic Name: ethyl 4-[2-[3-methyl-1-[(2-methyl-4-nitro-phenyl)amino]-1-oxidanylidene-butan-2-yl]sulfanylethanoylamino]benzoate Openeye Name: ethyl 4-[[2-[2-methyl-1-[(2-methyl-4-nitro-phenyl)carbamoyl]propyl]sulfanylacetyl]amino]benzoate CAS Name: 4-[[2-[[3-methyl-1-(2-methyl-4-nitroanilino)-1-oxobutan-2-yl]thio]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[3-methyl-1-(2-methyl-4-nitroanilino)-1-oxobutan-2-yl]sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[[2-methyl-1-[(2-methyl-4-nitro-phenyl)carbamoyl]propyl]thio]acetyl]amino]benzoic acid ethyl ester Formula: C23H27N3O6S MolecularWeight: 473.54198

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC(C(C)C)C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC(C(C)C)C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C

InChI

InChI=1S/C23H27N3O6S/c1-5-32-23(29)16-6-8-17(9-7-16)24-20(27)13-33-21(14(2)3)22(28)25-19-11-10-18(26(30)31)12-15(19)4/h6-12,14,21H,5,13H2,1-4H3,(H,24,27)(H,25,28)