ethyl 4-[2-[2-[(2-nitrophenyl)amino]-2-oxidanylidene-ethyl]sulfanylpentanoylamino]benzoate

Systemtic Name: ethyl 4-[2-[2-[(2-nitrophenyl)amino]-2-oxidanylidene-ethyl]sulfanylpentanoylamino]benzoate Openeye Name: ethyl 4-[2-[2-(2-nitroanilino)-2-oxo-ethyl]sulfanylpentanoylamino]benzoate CAS Name: 4-[[2-[[2-(2-nitroanilino)-2-oxoethyl]thio]-1-oxopentyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[2-[2-(2-nitroanilino)-2-oxoethyl]sulfanylpentanoylamino]benzoate Traditional Name: 4-[2-[[2-keto-2-(2-nitroanilino)ethyl]thio]pentanoylamino]benzoic acid ethyl ester Formula: C22H25N3O6S MolecularWeight: 459.5154

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)NC1=CC=C(C=C1)C(=O)OCC)SCC(=O)NC2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

CCCC(C(=O)NC1=CC=C(C=C1)C(=O)OCC)SCC(=O)NC2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C22H25N3O6S/c1-3-7-19(21(27)23-16-12-10-15(11-13-16)22(28)31-4-2)32-14-20(26)24-17-8-5-6-9-18(17)25(29)30/h5-6,8-13,19H,3-4,7,14H2,1-2H3,(H,23,27)(H,24,26)