ethyl 2-[(2-chloranylquinolin-3-yl)carbonylamino]-4-phenyl-5-thiocyanato-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[(2-chloranylquinolin-3-yl)carbonylamino]-4-phenyl-5-thiocyanato-thiophene-3-carboxylate Openeye Name: ethyl 2-[(2-chloroquinoline-3-carbonyl)amino]-4-phenyl-5-thiocyanato-thiophene-3-carboxylate CAS Name: 2-[[(2-chloro-3-quinolinyl)-oxomethyl]amino]-4-phenyl-5-thiocyanato-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(2-chloroquinoline-3-carbonyl)amino]-4-phenyl-5-thiocyanatothiophene-3-carboxylate Traditional Name: 2-[(2-chloroquinoline-3-carbonyl)amino]-4-phenyl-5-thiocyanato-thiophene-3-carboxylic acid ethyl ester Formula: C24H16ClN3O3S2 MolecularWeight: 493.98514

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)SC#N)NC(=O)C3=CC4=CC=CC=C4N=C3Cl

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)SC#N)NC(=O)C3=CC4=CC=CC=C4N=C3Cl

InChI

InChI=1S/C24H16ClN3O3S2/c1-2-31-23(30)19-18(14-8-4-3-5-9-14)24(32-13-26)33-22(19)28-21(29)16-12-15-10-6-7-11-17(15)27-20(16)25/h3-12H,2H2,1H3,(H,28,29)