ethyl 2-[(7-chloranyl-3,8-dimethyl-2-phenyl-quinolin-4-yl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[(7-chloranyl-3,8-dimethyl-2-phenyl-quinolin-4-yl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[(7-chloro-3,8-dimethyl-2-phenyl-quinoline-4-carbonyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[(7-chloro-3,8-dimethyl-2-phenyl-4-quinolinyl)-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(7-chloro-3,8-dimethyl-2-phenylquinoline-4-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[(7-chloro-3,8-dimethyl-2-phenyl-quinoline-4-carbonyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C29H27ClN2O3S MolecularWeight: 519.05428

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=C4C=CC(=C(C4=NC(=C3C)C5=CC=CC=C5)C)Cl

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=C4C=CC(=C(C4=NC(=C3C)C5=CC=CC=C5)C)Cl

InChI

InChI=1S/C29H27ClN2O3S/c1-4-35-29(34)24-19-12-8-9-13-22(19)36-28(24)32-27(33)23-17(3)25(18-10-6-5-7-11-18)31-26-16(2)21(30)15-14-20(23)26/h5-7,10-11,14-15H,4,8-9,12-13H2,1-3H3,(H,32,33)