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

Systemtic Name: diethyl 5-azanyl-3-[[(E)-3-quinolin-8-ylprop-2-enoyl]oxymethyl]thiophene-2,4-dicarboxylate Openeye Name: diethyl 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 diethyl ester IUPAC Name: diethyl 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 diethyl ester Formula: C23H22N2O6S MolecularWeight: 454.49558

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1COC(=O)C=CC2=CC=CC3=C2N=CC=C3)C(=O)OCC)N

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1COC(=O)/C=C/C2=CC=CC3=C2N=CC=C3)C(=O)OCC)N

InChI

InChI=1S/C23H22N2O6S/c1-3-29-22(27)18-16(20(32-21(18)24)23(28)30-4-2)13-31-17(26)11-10-15-8-5-7-14-9-6-12-25-19(14)15/h5-12H,3-4,13,24H2,1-2H3/b11-10+