methyl 4-[(E)-2-(5-morpholin-4-yl-2-thiophen-3-yl-1-benzofuran-3-yl)ethenyl]benzoate

Systemtic Name: methyl 4-[(E)-2-(5-morpholin-4-yl-2-thiophen-3-yl-1-benzofuran-3-yl)ethenyl]benzoate Openeye Name: methyl 4-[(E)-2-[5-morpholino-2-(3-thienyl)benzofuran-3-yl]vinyl]benzoate CAS Name: 4-[(E)-2-[5-(4-morpholinyl)-2-(3-thiophenyl)-3-benzofuranyl]ethenyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(E)-2-(5-morpholin-4-yl-2-thiophen-3-yl-1-benzofuran-3-yl)ethenyl]benzoate Traditional Name: 4-[(E)-2-[5-morpholino-2-(3-thienyl)benzofuran-3-yl]vinyl]benzoic acid methyl ester Formula: C26H23NO4S MolecularWeight: 445.53012

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C=CC2=C(OC3=C2C=C(C=C3)N4CCOCC4)C5=CSC=C5

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)/C=C/C2=C(OC3=C2C=C(C=C3)N4CCOCC4)C5=CSC=C5

InChI

InChI=1S/C26H23NO4S/c1-29-26(28)19-5-2-18(3-6-19)4-8-22-23-16-21(27-11-13-30-14-12-27)7-9-24(23)31-25(22)20-10-15-32-17-20/h2-10,15-17H,11-14H2,1H3/b8-4+