2,2-dimethyl-4-oxidanylidene-4-[4-[4-(1,3-thiazol-2-ylamino)phenyl]phenyl]butanoic acid

Systemtic Name: 2,2-dimethyl-4-oxidanylidene-4-[4-[4-(1,3-thiazol-2-ylamino)phenyl]phenyl]butanoic acid Openeye Name: 2,2-dimethyl-4-oxo-4-[4-[4-(thiazol-2-ylamino)phenyl]phenyl]butanoic acid CAS Name: 2,2-dimethyl-4-oxo-4-[4-[4-(2-thiazolylamino)phenyl]phenyl]butanoic acid IUPAC Name: 2,2-dimethyl-4-oxo-4-[4-[4-(1,3-thiazol-2-ylamino)phenyl]phenyl]butanoic acid Traditional Name: 4-keto-2,2-dimethyl-4-[4-[4-(thiazol-2-ylamino)phenyl]phenyl]butyric acid Formula: C21H20N2O3S MolecularWeight: 380.4601

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC(=O)C1=CC=C(C=C1)C2=CC=C(C=C2)NC3=NC=CS3)C(=O)O

Isomeric SMILES

CC(C)(CC(=O)C1=CC=C(C=C1)C2=CC=C(C=C2)NC3=NC=CS3)C(=O)O

InChI

InChI=1S/C21H20N2O3S/c1-21(2,19(25)26)13-18(24)16-5-3-14(4-6-16)15-7-9-17(10-8-15)23-20-22-11-12-27-20/h3-12H,13H2,1-2H3,(H,22,23)(H,25,26)