3-azanyl-4-[3-[(E)-2-(4-cyclobutyl-1,3-thiazol-2-yl)ethenyl]phenyl]-2,2-diethyl-4-oxidanylidene-butanoic acid

Systemtic Name: 3-azanyl-4-[3-[(E)-2-(4-cyclobutyl-1,3-thiazol-2-yl)ethenyl]phenyl]-2,2-diethyl-4-oxidanylidene-butanoic acid Openeye Name: 3-amino-4-[3-[(E)-2-(4-cyclobutylthiazol-2-yl)vinyl]phenyl]-2,2-diethyl-4-oxo-butanoic acid CAS Name: 3-amino-4-[3-[(E)-2-(4-cyclobutyl-2-thiazolyl)ethenyl]phenyl]-2,2-diethyl-4-oxobutanoic acid IUPAC Name: 3-amino-4-[3-[(E)-2-(4-cyclobutyl-1,3-thiazol-2-yl)ethenyl]phenyl]-2,2-diethyl-4-oxobutanoic acid Traditional Name: 3-amino-4-[3-[(E)-2-(4-cyclobutylthiazol-2-yl)vinyl]phenyl]-2,2-diethyl-4-keto-butyric acid Formula: C23H28N2O3S MolecularWeight: 412.54502

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28N2O3S/c1-3-23(4-2,22(27)28)21(24)20(26)17-10-5-7-15(13-17)11-12-19-25-18(14-29-19)16-8-6-9-16/h5,7,10-14,16,21H,3-4,6,8-9,24H2,1-2H3,(H,27,28)/b12-11+