4-[2-[4-methoxy-2-(2-morpholin-4-yl-2-oxidanylidene-ethoxy)-5-thiophen-2-yl-phenyl]prop-2-enoyl]benzoic acid

Systemtic Name: 4-[2-[4-methoxy-2-(2-morpholin-4-yl-2-oxidanylidene-ethoxy)-5-thiophen-2-yl-phenyl]prop-2-enoyl]benzoic acid Openeye Name: 4-[2-[4-methoxy-2-(2-morpholino-2-oxo-ethoxy)-5-(2-thienyl)phenyl]prop-2-enoyl]benzoic acid CAS Name: 4-[2-[4-methoxy-2-[2-(4-morpholinyl)-2-oxoethoxy]-5-thiophen-2-ylphenyl]-1-oxoprop-2-enyl]benzoic acid IUPAC Name: 4-[2-[4-methoxy-2-(2-morpholin-4-yl-2-oxoethoxy)-5-thiophen-2-ylphenyl]prop-2-enoyl]benzoic acid Traditional Name: 4-[2-[2-(2-keto-2-morpholino-ethoxy)-4-methoxy-5-(2-thienyl)phenyl]acryloyl]benzoic acid Formula: C27H25NO7S MolecularWeight: 507.5549

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C2=CC=CS2)C(=C)C(=O)C3=CC=C(C=C3)C(=O)O)OCC(=O)N4CCOCC4

Isomeric SMILES

COC1=CC(=C(C=C1C2=CC=CS2)C(=C)C(=O)C3=CC=C(C=C3)C(=O)O)OCC(=O)N4CCOCC4

InChI

InChI=1S/C27H25NO7S/c1-17(26(30)18-5-7-19(8-6-18)27(31)32)20-14-21(24-4-3-13-36-24)22(33-2)15-23(20)35-16-25(29)28-9-11-34-12-10-28/h3-8,13-15H,1,9-12,16H2,2H3,(H,31,32)