diethyl 2-[2-[4-(1,3-benzothiazol-2-ylamino)-3-nitro-phenoxy]ethanoylamino]propanedioate

Systemtic Name: diethyl 2-[2-[4-(1,3-benzothiazol-2-ylamino)-3-nitro-phenoxy]ethanoylamino]propanedioate Openeye Name: diethyl 2-[[2-[4-(1,3-benzothiazol-2-ylamino)-3-nitro-phenoxy]acetyl]amino]propanedioate CAS Name: 2-[[2-[4-(1,3-benzothiazol-2-ylamino)-3-nitrophenoxy]-1-oxoethyl]amino]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[[2-[4-(1,3-benzothiazol-2-ylamino)-3-nitrophenoxy]acetyl]amino]propanedioate Traditional Name: 2-[[2-[4-(1,3-benzothiazol-2-ylamino)-3-nitro-phenoxy]acetyl]amino]malonic acid diethyl ester Formula: C22H22N4O8S MolecularWeight: 502.49708

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(=O)OCC)NC(=O)COC1=CC(=C(C=C1)NC2=NC3=CC=CC=C3S2)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C(C(=O)OCC)NC(=O)COC1=CC(=C(C=C1)NC2=NC3=CC=CC=C3S2)[N+](=O)[O-]

InChI

InChI=1S/C22H22N4O8S/c1-3-32-20(28)19(21(29)33-4-2)25-18(27)12-34-13-9-10-14(16(11-13)26(30)31)23-22-24-15-7-5-6-8-17(15)35-22/h5-11,19H,3-4,12H2,1-2H3,(H,23,24)(H,25,27)