butyl 4-[2-(4-aminocarbonyl-2-nitro-phenyl)sulfanylethanoylamino]benzoate

Systemtic Name: butyl 4-[2-(4-aminocarbonyl-2-nitro-phenyl)sulfanylethanoylamino]benzoate Openeye Name: butyl 4-[[2-(4-carbamoyl-2-nitro-phenyl)sulfanylacetyl]amino]benzoate CAS Name: 4-[[2-[(4-carbamoyl-2-nitrophenyl)thio]-1-oxoethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[2-(4-carbamoyl-2-nitrophenyl)sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[(4-carbamoyl-2-nitro-phenyl)thio]acetyl]amino]benzoic acid butyl ester Formula: C20H21N3O6S MolecularWeight: 431.46224

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C20H21N3O6S/c1-2-3-10-29-20(26)13-4-7-15(8-5-13)22-18(24)12-30-17-9-6-14(19(21)25)11-16(17)23(27)28/h4-9,11H,2-3,10,12H2,1H3,(H2,21,25)(H,22,24)