methyl 5-(phenylmethyl)-2-[(2-pyridin-4-ylquinolin-4-yl)carbonylamino]thiophene-3-carboxylate

Systemtic Name: methyl 5-(phenylmethyl)-2-[(2-pyridin-4-ylquinolin-4-yl)carbonylamino]thiophene-3-carboxylate Openeye Name: methyl 5-benzyl-2-[[2-(4-pyridyl)quinoline-4-carbonyl]amino]thiophene-3-carboxylate CAS Name: 2-[[oxo-(2-pyridin-4-yl-4-quinolinyl)methyl]amino]-5-(phenylmethyl)-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-benzyl-2-[(2-pyridin-4-ylquinoline-4-carbonyl)amino]thiophene-3-carboxylate Traditional Name: 5-benzyl-2-[[2-(4-pyridyl)quinoline-4-carbonyl]amino]thiophene-3-carboxylic acid methyl ester Formula: C28H21N3O3S MolecularWeight: 479.54964

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=NC=C5

Isomeric SMILES

COC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=NC=C5

InChI

InChI=1S/C28H21N3O3S/c1-34-28(33)23-16-20(15-18-7-3-2-4-8-18)35-27(23)31-26(32)22-17-25(19-11-13-29-14-12-19)30-24-10-6-5-9-21(22)24/h2-14,16-17H,15H2,1H3,(H,31,32)