dimethyl 5-azanyl-3-[[(E)-3-quinolin-8-ylprop-2-enoyl]oxymethyl]thiophene-2,4-dicarboxylate

Systemtic Name: dimethyl 5-azanyl-3-[[(E)-3-quinolin-8-ylprop-2-enoyl]oxymethyl]thiophene-2,4-dicarboxylate Openeye Name: dimethyl 5-amino-3-[[(E)-3-(8-quinolyl)prop-2-enoyl]oxymethyl]thiophene-2,4-dicarboxylate CAS Name: 5-amino-3-[[(E)-1-oxo-3-(8-quinolinyl)prop-2-enoxy]methyl]thiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-amino-3-[[(E)-3-quinolin-8-ylprop-2-enoyl]oxymethyl]thiophene-2,4-dicarboxylate Traditional Name: 5-amino-3-[[(E)-3-(8-quinolyl)acryloyl]oxymethyl]thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C21H18N2O6S MolecularWeight: 426.44242

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC(=C1COC(=O)C=CC2=CC=CC3=C2N=CC=C3)C(=O)OC)N

Isomeric SMILES

COC(=O)C1=C(SC(=C1COC(=O)/C=C/C2=CC=CC3=C2N=CC=C3)C(=O)OC)N

InChI

InChI=1S/C21H18N2O6S/c1-27-20(25)16-14(18(21(26)28-2)30-19(16)22)11-29-15(24)9-8-13-6-3-5-12-7-4-10-23-17(12)13/h3-10H,11,22H2,1-2H3/b9-8+