O3-[(5-azanyl-4-cyano-2-ethoxycarbonyl-thiophen-3-yl)methyl] O1-methyl 5-nitrobenzene-1,3-dicarboxylate

Systemtic Name: O3-[(5-azanyl-4-cyano-2-ethoxycarbonyl-thiophen-3-yl)methyl] O1-methyl 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O3-[(5-amino-4-cyano-2-ethoxycarbonyl-3-thienyl)methyl] O1-methyl 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[(5-amino-4-cyano-2-ethoxycarbonyl-3-thiophenyl)methyl] ester O1-methyl ester IUPAC Name: 3-O-[(5-amino-4-cyano-2-ethoxycarbonylthiophen-3-yl)methyl] 1-O-methyl 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[(5-amino-2-carbethoxy-4-cyano-3-thienyl)methyl] ester O1-methyl ester Formula: C18H15N3O8S MolecularWeight: 433.392

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)N)C#N)COC(=O)C2=CC(=CC(=C2)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)COC(=O)C2=CC(=CC(=C2)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C18H15N3O8S/c1-3-28-18(24)14-13(12(7-19)15(20)30-14)8-29-17(23)10-4-9(16(22)27-2)5-11(6-10)21(25)26/h4-6H,3,8,20H2,1-2H3