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

Systemtic Name: (E)-3-azanyl-6-(4-cyclohexyl-1,3-thiazol-2-yl)-2,2-diethyl-4-oxidanylidene-3-phenyl-hex-5-enoic acid Openeye Name: (E)-3-amino-6-(4-cyclohexylthiazol-2-yl)-2,2-diethyl-4-oxo-3-phenyl-hex-5-enoic acid CAS Name: (E)-3-amino-6-(4-cyclohexyl-2-thiazolyl)-2,2-diethyl-4-oxo-3-phenyl-5-hexenoic acid IUPAC Name: (E)-3-amino-6-(4-cyclohexyl-1,3-thiazol-2-yl)-2,2-diethyl-4-oxo-3-phenylhex-5-enoic acid Traditional Name: (E)-3-amino-6-(4-cyclohexylthiazol-2-yl)-2,2-diethyl-4-keto-3-phenyl-hex-5-enoic acid Formula: C25H32N2O3S MolecularWeight: 440.59818

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H32N2O3S/c1-3-24(4-2,23(29)30)25(26,19-13-9-6-10-14-19)21(28)15-16-22-27-20(17-31-22)18-11-7-5-8-12-18/h6,9-10,13-18H,3-5,7-8,11-12,26H2,1-2H3,(H,29,30)/b16-15+