4-[2-[2-(2-oxidanylidene-2-piperidin-1-yl-ethoxy)-5-thiophen-2-yl-phenyl]prop-2-enoyl]benzoic acid

Systemtic Name: 4-[2-[2-(2-oxidanylidene-2-piperidin-1-yl-ethoxy)-5-thiophen-2-yl-phenyl]prop-2-enoyl]benzoic acid Openeye Name: 4-[2-[2-[2-oxo-2-(1-piperidyl)ethoxy]-5-(2-thienyl)phenyl]prop-2-enoyl]benzoic acid CAS Name: 4-[1-oxo-2-[2-[2-oxo-2-(1-piperidinyl)ethoxy]-5-thiophen-2-ylphenyl]prop-2-enyl]benzoic acid IUPAC Name: 4-[2-[2-(2-oxo-2-piperidin-1-ylethoxy)-5-thiophen-2-ylphenyl]prop-2-enoyl]benzoic acid Traditional Name: 4-[2-[2-(2-keto-2-piperidino-ethoxy)-5-(2-thienyl)phenyl]acryloyl]benzoic acid Formula: C27H25NO5S MolecularWeight: 475.5561

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Descriptors Computed from Structure

Canonical SMILES:

C=C(C1=C(C=CC(=C1)C2=CC=CS2)OCC(=O)N3CCCCC3)C(=O)C4=CC=C(C=C4)C(=O)O

Isomeric SMILES

C=C(C1=C(C=CC(=C1)C2=CC=CS2)OCC(=O)N3CCCCC3)C(=O)C4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C27H25NO5S/c1-18(26(30)19-7-9-20(10-8-19)27(31)32)22-16-21(24-6-5-15-34-24)11-12-23(22)33-17-25(29)28-13-3-2-4-14-28/h5-12,15-16H,1-4,13-14,17H2,(H,31,32)