O-(1-benzothiophen-2-yl) 2,2-bis[4-(quinolin-2-ylmethoxy)phenyl]propanethioate

Systemtic Name: O-(1-benzothiophen-2-yl) 2,2-bis[4-(quinolin-2-ylmethoxy)phenyl]propanethioate Openeye Name: O-(benzothiophen-2-yl) 2,2-bis[4-(2-quinolylmethoxy)phenyl]propanethioate CAS Name: 2,2-bis[4-(2-quinolinylmethoxy)phenyl]propanethioic acid O-(1-benzothiophen-2-yl) ester IUPAC Name: O-(1-benzothiophen-2-yl) 2,2-bis[4-(quinolin-2-ylmethoxy)phenyl]propanethioate Traditional Name: 2,2-bis[4-(2-quinolylmethoxy)phenyl]propanethioic acid O-(benzothiophen-2-yl) ester Formula: C43H32N2O3S2 MolecularWeight: 688.85578

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)OCC2=NC3=CC=CC=C3C=C2)(C4=CC=C(C=C4)OCC5=NC6=CC=CC=C6C=C5)C(=S)OC7=CC8=CC=CC=C8S7

Isomeric SMILES

CC(C1=CC=C(C=C1)OCC2=NC3=CC=CC=C3C=C2)(C4=CC=C(C=C4)OCC5=NC6=CC=CC=C6C=C5)C(=S)OC7=CC8=CC=CC=C8S7

InChI

InChI=1S/C43H32N2O3S2/c1-43(42(49)48-41-26-31-10-4-7-13-40(31)50-41,32-16-22-36(23-17-32)46-27-34-20-14-29-8-2-5-11-38(29)44-34)33-18-24-37(25-19-33)47-28-35-21-15-30-9-3-6-12-39(30)45-35/h2-26H,27-28H2,1H3