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

Systemtic Name: ethyl 3-methyl-5-[(2-phenylquinolin-4-yl)carbonylamino]-4-thiocyanato-thiophene-2-carboxylate Openeye Name: ethyl 3-methyl-5-[(2-phenylquinoline-4-carbonyl)amino]-4-thiocyanato-thiophene-2-carboxylate CAS Name: 3-methyl-5-[[oxo-(2-phenyl-4-quinolinyl)methyl]amino]-4-thiocyanato-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 3-methyl-5-[(2-phenylquinoline-4-carbonyl)amino]-4-thiocyanatothiophene-2-carboxylate Traditional Name: 3-methyl-5-[(2-phenylquinoline-4-carbonyl)amino]-4-thiocyanato-thiophene-2-carboxylic acid ethyl ester Formula: C25H19N3O3S2 MolecularWeight: 473.56666

Click to see the large picture

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)SC#N)C

Isomeric SMILES

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

InChI

InChI=1S/C25H19N3O3S2/c1-3-31-25(30)22-15(2)21(32-14-26)24(33-22)28-23(29)18-13-20(16-9-5-4-6-10-16)27-19-12-8-7-11-17(18)19/h4-13H,3H2,1-2H3,(H,28,29)