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

Systemtic Name: 4-[2-[4-methoxy-2-(2-morpholin-4-ylethoxy)-5-thiophen-2-yl-phenyl]prop-2-enoyl]benzoic acid Openeye Name: 4-[2-[4-methoxy-2-(2-morpholinoethoxy)-5-(2-thienyl)phenyl]prop-2-enoyl]benzoic acid CAS Name: 4-[2-[4-methoxy-2-[2-(4-morpholinyl)ethoxy]-5-thiophen-2-ylphenyl]-1-oxoprop-2-enyl]benzoic acid IUPAC Name: 4-[2-[4-methoxy-2-(2-morpholin-4-ylethoxy)-5-thiophen-2-ylphenyl]prop-2-enoyl]benzoic acid Traditional Name: 4-[2-[4-methoxy-2-(2-morpholinoethoxy)-5-(2-thienyl)phenyl]acryloyl]benzoic acid Formula: C27H27NO6S MolecularWeight: 493.57138

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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)OCCN4CCOCC4

Isomeric SMILES

COC1=CC(=C(C=C1C2=CC=CS2)C(=C)C(=O)C3=CC=C(C=C3)C(=O)O)OCCN4CCOCC4

InChI

InChI=1S/C27H27NO6S/c1-18(26(29)19-5-7-20(8-6-19)27(30)31)21-16-22(25-4-3-15-35-25)23(32-2)17-24(21)34-14-11-28-9-12-33-13-10-28/h3-8,15-17H,1,9-14H2,2H3,(H,30,31)