5-[3-(2,2-dimethyl-6-oxidanylidene-1,3-dioxin-4-yl)phenyl]-1,3-thiazole-2-carboxylic acid

Systemtic Name: 5-[3-(2,2-dimethyl-6-oxidanylidene-1,3-dioxin-4-yl)phenyl]-1,3-thiazole-2-carboxylic acid Openeye Name: 5-[3-(2,2-dimethyl-6-oxo-1,3-dioxin-4-yl)phenyl]thiazole-2-carboxylic acid CAS Name: 5-[3-(2,2-dimethyl-6-oxo-1,3-dioxin-4-yl)phenyl]-2-thiazolecarboxylic acid IUPAC Name: 5-[3-(2,2-dimethyl-6-oxo-1,3-dioxin-4-yl)phenyl]-1,3-thiazole-2-carboxylic acid Traditional Name: 5-[3-(6-keto-2,2-dimethyl-1,3-dioxin-4-yl)phenyl]thiazole-2-carboxylic acid Formula: C16H13NO5S MolecularWeight: 331.34312

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OC(=CC(=O)O1)C2=CC=CC(=C2)C3=CN=C(S3)C(=O)O)C

Isomeric SMILES

CC1(OC(=CC(=O)O1)C2=CC=CC(=C2)C3=CN=C(S3)C(=O)O)C

InChI

InChI=1S/C16H13NO5S/c1-16(2)21-11(7-13(18)22-16)9-4-3-5-10(6-9)12-8-17-14(23-12)15(19)20/h3-8H,1-2H3,(H,19,20)