ethyl (1R,2S)-2-[[4-(quinolin-2-ylsulfanylmethyl)phenyl]carbonylamino]cyclohexane-1-carboxylate

Systemtic Name: ethyl (1R,2S)-2-[[4-(quinolin-2-ylsulfanylmethyl)phenyl]carbonylamino]cyclohexane-1-carboxylate Openeye Name: ethyl (1R,2S)-2-[[4-(2-quinolylsulfanylmethyl)benzoyl]amino]cyclohexanecarboxylate CAS Name: (1R,2S)-2-[[oxo-[4-[(2-quinolinylthio)methyl]phenyl]methyl]amino]-1-cyclohexanecarboxylic acid ethyl ester IUPAC Name: ethyl (1R,2S)-2-[[4-(quinolin-2-ylsulfanylmethyl)benzoyl]amino]cyclohexane-1-carboxylate Traditional Name: (1R,2S)-2-[[4-[(2-quinolylthio)methyl]benzoyl]amino]cyclohexanecarboxylic acid ethyl ester Formula: C26H28N2O3S MolecularWeight: 448.57712

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCCC1NC(=O)C2=CC=C(C=C2)CSC3=NC4=CC=CC=C4C=C3

Isomeric SMILES

CCOC(=O)[C@@H]1CCCC[C@@H]1NC(=O)C2=CC=C(C=C2)CSC3=NC4=CC=CC=C4C=C3

InChI

InChI=1S/C26H28N2O3S/c1-2-31-26(30)21-8-4-6-10-23(21)28-25(29)20-13-11-18(12-14-20)17-32-24-16-15-19-7-3-5-9-22(19)27-24/h3,5,7,9,11-16,21,23H,2,4,6,8,10,17H2,1H3,(H,28,29)/t21-,23+/m1/s1