methyl 2-[(3-acetamido-3-thiophen-2-yl-propanoyl)oxymethyl]-4-phenyl-quinoline-3-carboxylate

Systemtic Name: methyl 2-[(3-acetamido-3-thiophen-2-yl-propanoyl)oxymethyl]-4-phenyl-quinoline-3-carboxylate Openeye Name: methyl 2-[[3-acetamido-3-(2-thienyl)propanoyl]oxymethyl]-4-phenyl-quinoline-3-carboxylate CAS Name: 2-[(3-acetamido-1-oxo-3-thiophen-2-ylpropoxy)methyl]-4-phenyl-3-quinolinecarboxylic acid methyl ester IUPAC Name: methyl 2-[(3-acetamido-3-thiophen-2-ylpropanoyl)oxymethyl]-4-phenylquinoline-3-carboxylate Traditional Name: 2-[[3-acetamido-3-(2-thienyl)propanoyl]oxymethyl]-4-phenyl-quinoline-3-carboxylic acid methyl ester Formula: C27H24N2O5S MolecularWeight: 488.55486

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC(=O)OCC1=NC2=CC=CC=C2C(=C1C(=O)OC)C3=CC=CC=C3)C4=CC=CS4

Isomeric SMILES

CC(=O)NC(CC(=O)OCC1=NC2=CC=CC=C2C(=C1C(=O)OC)C3=CC=CC=C3)C4=CC=CS4

InChI

InChI=1S/C27H24N2O5S/c1-17(30)28-21(23-13-8-14-35-23)15-24(31)34-16-22-26(27(32)33-2)25(18-9-4-3-5-10-18)19-11-6-7-12-20(19)29-22/h3-14,21H,15-16H2,1-2H3,(H,28,30)