methyl 4-phenyl-2-[[(E)-3-thiophen-2-ylprop-2-enoyl]oxymethyl]quinoline-3-carboxylate

Systemtic Name: methyl 4-phenyl-2-[[(E)-3-thiophen-2-ylprop-2-enoyl]oxymethyl]quinoline-3-carboxylate Openeye Name: methyl 4-phenyl-2-[[(E)-3-(2-thienyl)prop-2-enoyl]oxymethyl]quinoline-3-carboxylate CAS Name: 2-[[(E)-1-oxo-3-thiophen-2-ylprop-2-enoxy]methyl]-4-phenyl-3-quinolinecarboxylic acid methyl ester IUPAC Name: methyl 4-phenyl-2-[[(E)-3-thiophen-2-ylprop-2-enoyl]oxymethyl]quinoline-3-carboxylate Traditional Name: 4-phenyl-2-[[(E)-3-(2-thienyl)acryloyl]oxymethyl]quinoline-3-carboxylic acid methyl ester Formula: C25H19NO4S MolecularWeight: 429.48766

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=CC=CC=C2N=C1COC(=O)C=CC3=CC=CS3)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=C(C2=CC=CC=C2N=C1COC(=O)/C=C/C3=CC=CS3)C4=CC=CC=C4

InChI

InChI=1S/C25H19NO4S/c1-29-25(28)24-21(16-30-22(27)14-13-18-10-7-15-31-18)26-20-12-6-5-11-19(20)23(24)17-8-3-2-4-9-17/h2-15H,16H2,1H3/b14-13+