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

Systemtic Name: O3-[2-[(3-ethoxycarbonyl-5-ethyl-thiophen-2-yl)amino]-2-oxidanylidene-ethyl] O1-methyl 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O3-[2-[(3-ethoxycarbonyl-5-ethyl-2-thienyl)amino]-2-oxo-ethyl] O1-methyl 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[2-[(3-ethoxycarbonyl-5-ethyl-2-thiophenyl)amino]-2-oxoethyl] ester O1-methyl ester IUPAC Name: 3-O-[2-[(3-ethoxycarbonyl-5-ethylthiophen-2-yl)amino]-2-oxoethyl] 1-O-methyl 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[2-[(3-carbethoxy-5-ethyl-2-thienyl)amino]-2-keto-ethyl] ester O1-methyl ester Formula: C20H20N2O9S MolecularWeight: 464.4458

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=O)COC(=O)C2=CC(=CC(=C2)C(=O)OC)[N+](=O)[O-])C(=O)OCC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=O)COC(=O)C2=CC(=CC(=C2)C(=O)OC)[N+](=O)[O-])C(=O)OCC

InChI

InChI=1S/C20H20N2O9S/c1-4-14-9-15(20(26)30-5-2)17(32-14)21-16(23)10-31-19(25)12-6-11(18(24)29-3)7-13(8-12)22(27)28/h6-9H,4-5,10H2,1-3H3,(H,21,23)