(E)-3-azanyl-6-(4-cyclobutyl-1,3-thiazol-2-yl)-2-ethyl-2-methyl-4-oxidanylidene-3-phenyl-hex-5-enoic acid

Systemtic Name: (E)-3-azanyl-6-(4-cyclobutyl-1,3-thiazol-2-yl)-2-ethyl-2-methyl-4-oxidanylidene-3-phenyl-hex-5-enoic acid Openeye Name: (E)-3-amino-6-(4-cyclobutylthiazol-2-yl)-2-ethyl-2-methyl-4-oxo-3-phenyl-hex-5-enoic acid CAS Name: (E)-3-amino-6-(4-cyclobutyl-2-thiazolyl)-2-ethyl-2-methyl-4-oxo-3-phenyl-5-hexenoic acid IUPAC Name: (E)-3-amino-6-(4-cyclobutyl-1,3-thiazol-2-yl)-2-ethyl-2-methyl-4-oxo-3-phenylhex-5-enoic acid Traditional Name: (E)-3-amino-6-(4-cyclobutylthiazol-2-yl)-2-ethyl-4-keto-2-methyl-3-phenyl-hex-5-enoic acid Formula: C22H26N2O3S MolecularWeight: 398.51844

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C(=O)O)C(C1=CC=CC=C1)(C(=O)C=CC2=NC(=CS2)C3CCC3)N

Isomeric SMILES

CCC(C)(C(=O)O)C(C1=CC=CC=C1)(C(=O)/C=C/C2=NC(=CS2)C3CCC3)N

InChI

InChI=1S/C22H26N2O3S/c1-3-21(2,20(26)27)22(23,16-10-5-4-6-11-16)18(25)12-13-19-24-17(14-28-19)15-8-7-9-15/h4-6,10-15H,3,7-9,23H2,1-2H3,(H,26,27)/b13-12+