2-methylpropyl 2-methyl-6-[[3-(quinolin-2-ylmethoxy)phenyl]sulfanylmethyl]benzoate

Systemtic Name: 2-methylpropyl 2-methyl-6-[[3-(quinolin-2-ylmethoxy)phenyl]sulfanylmethyl]benzoate Openeye Name: isobutyl 2-methyl-6-[[3-(2-quinolylmethoxy)phenyl]sulfanylmethyl]benzoate CAS Name: 2-methyl-6-[[[3-(2-quinolinylmethoxy)phenyl]thio]methyl]benzoic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 2-methyl-6-[[3-(quinolin-2-ylmethoxy)phenyl]sulfanylmethyl]benzoate Traditional Name: 2-methyl-6-[[[3-(2-quinolylmethoxy)phenyl]thio]methyl]benzoic acid isobutyl ester Formula: C29H29NO3S MolecularWeight: 471.61046

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)CSC2=CC=CC(=C2)OCC3=NC4=CC=CC=C4C=C3)C(=O)OCC(C)C

Isomeric SMILES

CC1=C(C(=CC=C1)CSC2=CC=CC(=C2)OCC3=NC4=CC=CC=C4C=C3)C(=O)OCC(C)C

InChI

InChI=1S/C29H29NO3S/c1-20(2)17-33-29(31)28-21(3)8-6-10-23(28)19-34-26-12-7-11-25(16-26)32-18-24-15-14-22-9-4-5-13-27(22)30-24/h4-16,20H,17-19H2,1-3H3