O3-[2-[5-(2-acetamidoethyl)thiophen-2-yl]-2-oxidanylidene-ethyl] O1-ethyl 5-nitrobenzene-1,3-dicarboxylate

Systemtic Name: O3-[2-[5-(2-acetamidoethyl)thiophen-2-yl]-2-oxidanylidene-ethyl] O1-ethyl 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O3-[2-[5-(2-acetamidoethyl)-2-thienyl]-2-oxo-ethyl] O1-ethyl 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[2-[5-(2-acetamidoethyl)-2-thiophenyl]-2-oxoethyl] ester O1-ethyl ester IUPAC Name: 3-O-[2-[5-(2-acetamidoethyl)thiophen-2-yl]-2-oxoethyl] 1-O-ethyl 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[2-[5-(2-acetamidoethyl)-2-thienyl]-2-keto-ethyl] ester O1-ethyl ester Formula: C20H20N2O8S MolecularWeight: 448.4464

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)C(=O)OCC(=O)C2=CC=C(S2)CCNC(=O)C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)C(=O)OCC(=O)C2=CC=C(S2)CCNC(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C20H20N2O8S/c1-3-29-19(25)13-8-14(10-15(9-13)22(27)28)20(26)30-11-17(24)18-5-4-16(31-18)6-7-21-12(2)23/h4-5,8-10H,3,6-7,11H2,1-2H3,(H,21,23)