ethyl 4-aminocarbonyl-3-methyl-5-[(2-phenylquinolin-4-yl)carbonylamino]thiophene-2-carboxylate

Systemtic Name: ethyl 4-aminocarbonyl-3-methyl-5-[(2-phenylquinolin-4-yl)carbonylamino]thiophene-2-carboxylate Openeye Name: ethyl 4-carbamoyl-3-methyl-5-[(2-phenylquinoline-4-carbonyl)amino]thiophene-2-carboxylate CAS Name: 4-carbamoyl-3-methyl-5-[[oxo-(2-phenyl-4-quinolinyl)methyl]amino]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-carbamoyl-3-methyl-5-[(2-phenylquinoline-4-carbonyl)amino]thiophene-2-carboxylate Traditional Name: 4-carbamoyl-3-methyl-5-[(2-phenylquinoline-4-carbonyl)amino]thiophene-2-carboxylic acid ethyl ester Formula: C25H21N3O4S MolecularWeight: 459.51694

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CC=C4)C(=O)N)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CC=C4)C(=O)N)C

InChI

InChI=1S/C25H21N3O4S/c1-3-32-25(31)21-14(2)20(22(26)29)24(33-21)28-23(30)17-13-19(15-9-5-4-6-10-15)27-18-12-8-7-11-16(17)18/h4-13H,3H2,1-2H3,(H2,26,29)(H,28,30)