S-ethyl 3,3-bis[4-(quinolin-2-ylmethoxy)phenyl]butanethioate

Systemtic Name: S-ethyl 3,3-bis[4-(quinolin-2-ylmethoxy)phenyl]butanethioate Openeye Name: S-ethyl 3,3-bis[4-(2-quinolylmethoxy)phenyl]butanethioate CAS Name: 3,3-bis[4-(2-quinolinylmethoxy)phenyl]butanethioic acid S-ethyl ester IUPAC Name: S-ethyl 3,3-bis[4-(quinolin-2-ylmethoxy)phenyl]butanethioate Traditional Name: 3,3-bis[4-(2-quinolylmethoxy)phenyl]butanethioic acid S-ethyl ester Formula: C38H34N2O3S MolecularWeight: 598.75316

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCSC(=O)CC(C)(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/C38H34N2O3S/c1-3-44-37(41)24-38(2,29-14-20-33(21-15-29)42-25-31-18-12-27-8-4-6-10-35(27)39-31)30-16-22-34(23-17-30)43-26-32-19-13-28-9-5-7-11-36(28)40-32/h4-23H,3,24-26H2,1-2H3