O3-[2-[(3-methoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxidanylidene-ethyl] O1-methyl 5-nitrobenzene-1,3-dicarboxylate

Systemtic Name: O3-[2-[(3-methoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxidanylidene-ethyl] O1-methyl 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O3-[2-[(3-methoxycarbonyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-2-oxo-ethyl] O1-methyl 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[2-[(3-methoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl] ester O1-methyl ester IUPAC Name: 3-O-[2-[(3-methoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl] 1-O-methyl 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[2-[(3-carbomethoxy-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-2-keto-ethyl] ester O1-methyl ester Formula: C21H20N2O9S MolecularWeight: 476.4565

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OCC(=O)NC2=C(C3=C(S2)CCCC3)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OCC(=O)NC2=C(C3=C(S2)CCCC3)C(=O)OC

InChI

InChI=1S/C21H20N2O9S/c1-30-19(25)11-7-12(9-13(8-11)23(28)29)20(26)32-10-16(24)22-18-17(21(27)31-2)14-5-3-4-6-15(14)33-18/h7-9H,3-6,10H2,1-2H3,(H,22,24)