3-[3,4-bis[4-(quinolin-2-ylmethoxy)phenyl]thiophen-2-yl]propanethioic S-acid

Systemtic Name: 3-[3,4-bis[4-(quinolin-2-ylmethoxy)phenyl]thiophen-2-yl]propanethioic S-acid Openeye Name: 3-[3,4-bis[4-(2-quinolylmethoxy)phenyl]-2-thienyl]propanethioic S-acid CAS Name: 3-[3,4-bis[4-(2-quinolinylmethoxy)phenyl]-2-thiophenyl]propanethioic S-acid IUPAC Name: 3-[3,4-bis[4-(quinolin-2-ylmethoxy)phenyl]thiophen-2-yl]propanethioic S-acid Traditional Name: 3-[3,4-bis[4-(2-quinolylmethoxy)phenyl]-2-thienyl]thiopropionic acid Formula: C39H30N2O3S2 MolecularWeight: 638.7971

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC(=N2)COC3=CC=C(C=C3)C4=CSC(=C4C5=CC=C(C=C5)OCC6=NC7=CC=CC=C7C=C6)CCC(=O)S

Isomeric SMILES

C1=CC=C2C(=C1)C=CC(=N2)COC3=CC=C(C=C3)C4=CSC(=C4C5=CC=C(C=C5)OCC6=NC7=CC=CC=C7C=C6)CCC(=O)S

InChI

InChI=1S/C39H30N2O3S2/c42-38(45)22-21-37-39(29-13-19-33(20-14-29)44-24-31-16-10-28-6-2-4-8-36(28)41-31)34(25-46-37)26-11-17-32(18-12-26)43-23-30-15-9-27-5-1-3-7-35(27)40-30/h1-20,25H,21-24H2,(H,42,45)