(E)-4-oxidanylidene-4-[4-[2-oxidanylidene-2-[(2-propan-2-yl-1,3-benzothiazol-4-yl)amino]ethoxy]phenyl]but-2-enoic acid

Systemtic Name: (E)-4-oxidanylidene-4-[4-[2-oxidanylidene-2-[(2-propan-2-yl-1,3-benzothiazol-4-yl)amino]ethoxy]phenyl]but-2-enoic acid Openeye Name: (E)-4-[4-[2-[(2-isopropyl-1,3-benzothiazol-4-yl)amino]-2-oxo-ethoxy]phenyl]-4-oxo-but-2-enoic acid CAS Name: (E)-4-oxo-4-[4-[2-oxo-2-[(2-propan-2-yl-1,3-benzothiazol-4-yl)amino]ethoxy]phenyl]-2-butenoic acid IUPAC Name: (E)-4-oxo-4-[4-[2-oxo-2-[(2-propan-2-yl-1,3-benzothiazol-4-yl)amino]ethoxy]phenyl]but-2-enoic acid Traditional Name: (E)-4-[4-[2-[(2-isopropyl-1,3-benzothiazol-4-yl)amino]-2-keto-ethoxy]phenyl]-4-keto-but-2-enoic acid Formula: C22H20N2O5S MolecularWeight: 424.4696

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC2=C(C=CC=C2S1)NC(=O)COC3=CC=C(C=C3)C(=O)C=CC(=O)O

Isomeric SMILES

CC(C)C1=NC2=C(C=CC=C2S1)NC(=O)COC3=CC=C(C=C3)C(=O)/C=C/C(=O)O

InChI

InChI=1S/C22H20N2O5S/c1-13(2)22-24-21-16(4-3-5-18(21)30-22)23-19(26)12-29-15-8-6-14(7-9-15)17(25)10-11-20(27)28/h3-11,13H,12H2,1-2H3,(H,23,26)(H,27,28)/b11-10+