4-[[3-[2-(4-cyclobutyl-1,3-thiazol-2-yl)ethynyl]phenyl]amino]-2,2-diethyl-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[[3-[2-(4-cyclobutyl-1,3-thiazol-2-yl)ethynyl]phenyl]amino]-2,2-diethyl-4-oxidanylidene-butanoic acid Openeye Name: 4-[3-[2-(4-cyclobutylthiazol-2-yl)ethynyl]anilino]-2,2-diethyl-4-oxo-butanoic acid CAS Name: 4-[3-[2-(4-cyclobutyl-2-thiazolyl)ethynyl]anilino]-2,2-diethyl-4-oxobutanoic acid IUPAC Name: 4-[3-[2-(4-cyclobutyl-1,3-thiazol-2-yl)ethynyl]anilino]-2,2-diethyl-4-oxobutanoic acid Traditional Name: 4-[3-[2-(4-cyclobutylthiazol-2-yl)ethynyl]anilino]-2,2-diethyl-4-keto-butyric acid Formula: C23H26N2O3S MolecularWeight: 410.52914

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(CC(=O)NC1=CC=CC(=C1)C#CC2=NC(=CS2)C3CCC3)C(=O)O

Isomeric SMILES

CCC(CC)(CC(=O)NC1=CC=CC(=C1)C#CC2=NC(=CS2)C3CCC3)C(=O)O

InChI

InChI=1S/C23H26N2O3S/c1-3-23(4-2,22(27)28)14-20(26)24-18-10-5-7-16(13-18)11-12-21-25-19(15-29-21)17-8-6-9-17/h5,7,10,13,15,17H,3-4,6,8-9,14H2,1-2H3,(H,24,26)(H,27,28)