methyl 4-[(7-methoxy-4-phenyl-quinolin-2-yl)sulfanylmethyl]benzoate

Systemtic Name: methyl 4-[(7-methoxy-4-phenyl-quinolin-2-yl)sulfanylmethyl]benzoate Openeye Name: methyl 4-[(7-methoxy-4-phenyl-2-quinolyl)sulfanylmethyl]benzoate CAS Name: 4-[[(7-methoxy-4-phenyl-2-quinolinyl)thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(7-methoxy-4-phenylquinolin-2-yl)sulfanylmethyl]benzoate Traditional Name: 4-[[(7-methoxy-4-phenyl-2-quinolyl)thio]methyl]benzoic acid methyl ester Formula: C25H21NO3S MolecularWeight: 415.50414

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=CC(=N2)SCC3=CC=C(C=C3)C(=O)OC)C4=CC=CC=C4

Isomeric SMILES

COC1=CC2=C(C=C1)C(=CC(=N2)SCC3=CC=C(C=C3)C(=O)OC)C4=CC=CC=C4

InChI

InChI=1S/C25H21NO3S/c1-28-20-12-13-21-22(18-6-4-3-5-7-18)15-24(26-23(21)14-20)30-16-17-8-10-19(11-9-17)25(27)29-2/h3-15H,16H2,1-2H3