(E)-2-benzamido-4-(4-ethyl-1,3-benzothiazol-2-yl)-2-phenoxy-but-3-enoic acid

Systemtic Name: (E)-2-benzamido-4-(4-ethyl-1,3-benzothiazol-2-yl)-2-phenoxy-but-3-enoic acid Openeye Name: (E)-2-benzamido-4-(4-ethyl-1,3-benzothiazol-2-yl)-2-phenoxy-but-3-enoic acid CAS Name: (E)-2-benzamido-4-(4-ethyl-1,3-benzothiazol-2-yl)-2-phenoxy-3-butenoic acid IUPAC Name: (E)-2-benzamido-4-(4-ethyl-1,3-benzothiazol-2-yl)-2-phenoxybut-3-enoic acid Traditional Name: (E)-2-benzamido-4-(4-ethyl-1,3-benzothiazol-2-yl)-2-phenoxy-but-3-enoic acid Formula: C26H22N2O4S MolecularWeight: 458.52888

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2C(=CC=C1)SC(=N2)C=CC(C(=O)O)(NC(=O)C3=CC=CC=C3)OC4=CC=CC=C4

Isomeric SMILES

CCC1=C2C(=CC=C1)SC(=N2)/C=C/C(C(=O)O)(NC(=O)C3=CC=CC=C3)OC4=CC=CC=C4

InChI

InChI=1S/C26H22N2O4S/c1-2-18-12-9-15-21-23(18)27-22(33-21)16-17-26(25(30)31,32-20-13-7-4-8-14-20)28-24(29)19-10-5-3-6-11-19/h3-17H,2H2,1H3,(H,28,29)(H,30,31)/b17-16+