3-(4-ethylphenyl)-3-[2-(thiomorpholin-4-ylmethyl)phenyl]-2-benzofuran-1-one

Systemtic Name: 3-(4-ethylphenyl)-3-[2-(thiomorpholin-4-ylmethyl)phenyl]-2-benzofuran-1-one Openeye Name: 3-(4-ethylphenyl)-3-[2-(thiomorpholinomethyl)phenyl]isobenzofuran-1-one CAS Name: 3-(4-ethylphenyl)-3-[2-(thiomorpholin-4-ylmethyl)phenyl]-1-isobenzofuranone IUPAC Name: 3-(4-ethylphenyl)-3-[2-(thiomorpholin-4-ylmethyl)phenyl]-2-benzofuran-1-one Traditional Name: 3-(4-ethylphenyl)-3-[2-(thiomorpholinomethyl)phenyl]phthalide Formula: C27H27NO2S MolecularWeight: 429.57378

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2(C3=CC=CC=C3C(=O)O2)C4=CC=CC=C4CN5CCSCC5

Isomeric SMILES

CCC1=CC=C(C=C1)C2(C3=CC=CC=C3C(=O)O2)C4=CC=CC=C4CN5CCSCC5

InChI

InChI=1S/C27H27NO2S/c1-2-20-11-13-22(14-12-20)27(25-10-6-4-8-23(25)26(29)30-27)24-9-5-3-7-21(24)19-28-15-17-31-18-16-28/h3-14H,2,15-19H2,1H3