3,3-bis[4-(quinolin-2-ylmethoxy)phenyl]butanethioic S-acid

Systemtic Name: 3,3-bis[4-(quinolin-2-ylmethoxy)phenyl]butanethioic S-acid Openeye Name: 3,3-bis[4-(2-quinolylmethoxy)phenyl]butanethioic S-acid CAS Name: 3,3-bis[4-(2-quinolinylmethoxy)phenyl]butanethioic S-acid IUPAC Name: 3,3-bis[4-(quinolin-2-ylmethoxy)phenyl]butanethioic S-acid Traditional Name: 3,3-bis[4-(2-quinolylmethoxy)phenyl]thiobutyric acid Formula: C36H30N2O3S MolecularWeight: 570.7

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)S)(C1=CC=C(C=C1)OCC2=NC3=CC=CC=C3C=C2)C4=CC=C(C=C4)OCC5=NC6=CC=CC=C6C=C5

Isomeric SMILES

CC(CC(=O)S)(C1=CC=C(C=C1)OCC2=NC3=CC=CC=C3C=C2)C4=CC=C(C=C4)OCC5=NC6=CC=CC=C6C=C5

InChI

InChI=1S/C36H30N2O3S/c1-36(22-35(39)42,27-12-18-31(19-13-27)40-23-29-16-10-25-6-2-4-8-33(25)37-29)28-14-20-32(21-15-28)41-24-30-17-11-26-7-3-5-9-34(26)38-30/h2-21H,22-24H2,1H3,(H,39,42)