(E)-2-benzamido-4-(5-cyclohexyl-1,3-thiazol-2-yl)-2-phenoxy-but-3-enoic acid

Systemtic Name: (E)-2-benzamido-4-(5-cyclohexyl-1,3-thiazol-2-yl)-2-phenoxy-but-3-enoic acid Openeye Name: (E)-2-benzamido-4-(5-cyclohexylthiazol-2-yl)-2-phenoxy-but-3-enoic acid CAS Name: (E)-2-benzamido-4-(5-cyclohexyl-2-thiazolyl)-2-phenoxy-3-butenoic acid IUPAC Name: (E)-2-benzamido-4-(5-cyclohexyl-1,3-thiazol-2-yl)-2-phenoxybut-3-enoic acid Traditional Name: (E)-2-benzamido-4-(5-cyclohexylthiazol-2-yl)-2-phenoxy-but-3-enoic acid Formula: C26H26N2O4S MolecularWeight: 462.56064

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=CN=C(S2)C=CC(C(=O)O)(NC(=O)C3=CC=CC=C3)OC4=CC=CC=C4

Isomeric SMILES

C1CCC(CC1)C2=CN=C(S2)/C=C/C(C(=O)O)(NC(=O)C3=CC=CC=C3)OC4=CC=CC=C4

InChI

InChI=1S/C26H26N2O4S/c29-24(20-12-6-2-7-13-20)28-26(25(30)31,32-21-14-8-3-9-15-21)17-16-23-27-18-22(33-23)19-10-4-1-5-11-19/h2-3,6-9,12-19H,1,4-5,10-11H2,(H,28,29)(H,30,31)/b17-16+