dimethyl 5-azanyl-3-[[(E)-3-quinoxalin-2-ylprop-2-enoyl]oxymethyl]thiophene-2,4-dicarboxylate

Systemtic Name: dimethyl 5-azanyl-3-[[(E)-3-quinoxalin-2-ylprop-2-enoyl]oxymethyl]thiophene-2,4-dicarboxylate Openeye Name: dimethyl 5-amino-3-[[(E)-3-quinoxalin-2-ylprop-2-enoyl]oxymethyl]thiophene-2,4-dicarboxylate CAS Name: 5-amino-3-[[(E)-1-oxo-3-(2-quinoxalinyl)prop-2-enoxy]methyl]thiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-amino-3-[[(E)-3-quinoxalin-2-ylprop-2-enoyl]oxymethyl]thiophene-2,4-dicarboxylate Traditional Name: 5-amino-3-[[(E)-3-quinoxalin-2-ylacryloyl]oxymethyl]thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C20H17N3O6S MolecularWeight: 427.43048

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC(=C1COC(=O)C=CC2=NC3=CC=CC=C3N=C2)C(=O)OC)N

Isomeric SMILES

COC(=O)C1=C(SC(=C1COC(=O)/C=C/C2=NC3=CC=CC=C3N=C2)C(=O)OC)N

InChI

InChI=1S/C20H17N3O6S/c1-27-19(25)16-12(17(20(26)28-2)30-18(16)21)10-29-15(24)8-7-11-9-22-13-5-3-4-6-14(13)23-11/h3-9H,10,21H2,1-2H3/b8-7+