(E)-3-azanyl-6-(4-cyclohexyl-1,3-thiazol-2-yl)-2-methylidene-4-oxidanylidene-3-phenyl-hex-5-enoic acid

Systemtic Name: (E)-3-azanyl-6-(4-cyclohexyl-1,3-thiazol-2-yl)-2-methylidene-4-oxidanylidene-3-phenyl-hex-5-enoic acid Openeye Name: (E)-3-amino-6-(4-cyclohexylthiazol-2-yl)-2-methylene-4-oxo-3-phenyl-hex-5-enoic acid CAS Name: (E)-3-amino-6-(4-cyclohexyl-2-thiazolyl)-2-methylene-4-oxo-3-phenyl-5-hexenoic acid IUPAC Name: (E)-3-amino-6-(4-cyclohexyl-1,3-thiazol-2-yl)-2-methylidene-4-oxo-3-phenylhex-5-enoic acid Traditional Name: (E)-3-amino-6-(4-cyclohexylthiazol-2-yl)-4-keto-2-methylene-3-phenyl-hex-5-enoic acid Formula: C22H24N2O3S MolecularWeight: 396.50256

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=C(C(=O)O)C(C1=CC=CC=C1)(C(=O)C=CC2=NC(=CS2)C3CCCCC3)N

Isomeric SMILES

C=C(C(=O)O)C(C1=CC=CC=C1)(C(=O)/C=C/C2=NC(=CS2)C3CCCCC3)N

InChI

InChI=1S/C22H24N2O3S/c1-15(21(26)27)22(23,17-10-6-3-7-11-17)19(25)12-13-20-24-18(14-28-20)16-8-4-2-5-9-16/h3,6-7,10-14,16H,1-2,4-5,8-9,23H2,(H,26,27)/b13-12+