5-(4-cyclobutyl-1,3-thiazol-2-yl)-4-ethenyl-3-methoxy-2-(2-oxidanylidene-2-phenylazanyl-ethyl)benzoic acid

Systemtic Name: 5-(4-cyclobutyl-1,3-thiazol-2-yl)-4-ethenyl-3-methoxy-2-(2-oxidanylidene-2-phenylazanyl-ethyl)benzoic acid Openeye Name: 2-(2-anilino-2-oxo-ethyl)-5-(4-cyclobutylthiazol-2-yl)-3-methoxy-4-vinyl-benzoic acid CAS Name: 2-(2-anilino-2-oxoethyl)-5-(4-cyclobutyl-2-thiazolyl)-4-ethenyl-3-methoxybenzoic acid IUPAC Name: 2-(2-anilino-2-oxoethyl)-5-(4-cyclobutyl-1,3-thiazol-2-yl)-4-ethenyl-3-methoxybenzoic acid Traditional Name: 2-(2-anilino-2-keto-ethyl)-5-(4-cyclobutylthiazol-2-yl)-3-methoxy-4-vinyl-benzoic acid Formula: C25H24N2O4S MolecularWeight: 448.53406

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1CC(=O)NC2=CC=CC=C2)C(=O)O)C3=NC(=CS3)C4CCC4)C=C

Isomeric SMILES

COC1=C(C(=CC(=C1CC(=O)NC2=CC=CC=C2)C(=O)O)C3=NC(=CS3)C4CCC4)C=C

InChI

InChI=1S/C25H24N2O4S/c1-3-17-19(24-27-21(14-32-24)15-8-7-9-15)12-20(25(29)30)18(23(17)31-2)13-22(28)26-16-10-5-4-6-11-16/h3-6,10-12,14-15H,1,7-9,13H2,2H3,(H,26,28)(H,29,30)