2-(4-chlorophenyl)-3-methyl-3-[4-(quinolin-2-ylmethoxy)phenyl]hexanethioic S-acid

Systemtic Name: 2-(4-chlorophenyl)-3-methyl-3-[4-(quinolin-2-ylmethoxy)phenyl]hexanethioic S-acid Openeye Name: 2-(4-chlorophenyl)-3-methyl-3-[4-(2-quinolylmethoxy)phenyl]hexanethioic S-acid CAS Name: 2-(4-chlorophenyl)-3-methyl-3-[4-(2-quinolinylmethoxy)phenyl]hexanethioic S-acid IUPAC Name: 2-(4-chlorophenyl)-3-methyl-3-[4-(quinolin-2-ylmethoxy)phenyl]hexanethioic S-acid Traditional Name: 2-(4-chlorophenyl)-3-methyl-3-[4-(2-quinolylmethoxy)phenyl]hexanethioic S-acid Formula: C29H28ClNO2S MolecularWeight: 490.05612

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)(C1=CC=C(C=C1)OCC2=NC3=CC=CC=C3C=C2)C(C4=CC=C(C=C4)Cl)C(=O)S

Isomeric SMILES

CCCC(C)(C1=CC=C(C=C1)OCC2=NC3=CC=CC=C3C=C2)C(C4=CC=C(C=C4)Cl)C(=O)S

InChI

InChI=1S/C29H28ClNO2S/c1-3-18-29(2,27(28(32)34)21-8-13-23(30)14-9-21)22-11-16-25(17-12-22)33-19-24-15-10-20-6-4-5-7-26(20)31-24/h4-17,27H,3,18-19H2,1-2H3,(H,32,34)