ethyl 5-[(2-quinolin-2-yl-1-benzofuran-3-yl)methylsulfanyl]pentanoate

Systemtic Name: ethyl 5-[(2-quinolin-2-yl-1-benzofuran-3-yl)methylsulfanyl]pentanoate Openeye Name: ethyl 5-[[2-(2-quinolyl)benzofuran-3-yl]methylsulfanyl]pentanoate CAS Name: 5-[[2-(2-quinolinyl)-3-benzofuranyl]methylthio]pentanoic acid ethyl ester IUPAC Name: ethyl 5-[(2-quinolin-2-yl-1-benzofuran-3-yl)methylsulfanyl]pentanoate Traditional Name: 5-[[2-(2-quinolyl)benzofuran-3-yl]methylthio]valeric acid ethyl ester Formula: C25H25NO3S MolecularWeight: 419.5359

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCCSCC1=C(OC2=CC=CC=C21)C3=NC4=CC=CC=C4C=C3

Isomeric SMILES

CCOC(=O)CCCCSCC1=C(OC2=CC=CC=C21)C3=NC4=CC=CC=C4C=C3

InChI

InChI=1S/C25H25NO3S/c1-2-28-24(27)13-7-8-16-30-17-20-19-10-4-6-12-23(19)29-25(20)22-15-14-18-9-3-5-11-21(18)26-22/h3-6,9-12,14-15H,2,7-8,13,16-17H2,1H3