ethyl 6-tert-butyl-2-[(2-phenylquinolin-4-yl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 6-tert-butyl-2-[(2-phenylquinolin-4-yl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 6-tert-butyl-2-[(2-phenylquinoline-4-carbonyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 6-tert-butyl-2-[[oxo-(2-phenyl-4-quinolinyl)methyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6-tert-butyl-2-[(2-phenylquinoline-4-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 6-tert-butyl-2-[(2-phenylquinoline-4-carbonyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C31H32N2O3S MolecularWeight: 512.66238

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCC(C2)C(C)(C)C)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CC=C5

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCC(C2)C(C)(C)C)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CC=C5

InChI

InChI=1S/C31H32N2O3S/c1-5-36-30(35)27-22-16-15-20(31(2,3)4)17-26(22)37-29(27)33-28(34)23-18-25(19-11-7-6-8-12-19)32-24-14-10-9-13-21(23)24/h6-14,18,20H,5,15-17H2,1-4H3,(H,33,34)