2,2-dimethylpropanoyloxymethyl 4-oxidanylidene-3-propyl-2-(2-thiophen-2-ylcyclopropyl)chromene-6-carboxylate

Systemtic Name: 2,2-dimethylpropanoyloxymethyl 4-oxidanylidene-3-propyl-2-(2-thiophen-2-ylcyclopropyl)chromene-6-carboxylate Openeye Name: 2,2-dimethylpropanoyloxymethyl 4-oxo-3-propyl-2-[2-(2-thienyl)cyclopropyl]chromene-6-carboxylate CAS Name: 4-oxo-3-propyl-2-(2-thiophen-2-ylcyclopropyl)-1-benzopyran-6-carboxylic acid (2,2-dimethyl-1-oxopropoxy)methyl ester IUPAC Name: 2,2-dimethylpropanoyloxymethyl 4-oxo-3-propyl-2-(2-thiophen-2-ylcyclopropyl)chromene-6-carboxylate Traditional Name: 4-keto-3-propyl-2-[2-(2-thienyl)cyclopropyl]chromene-6-carboxylic acid pivaloyloxymethyl ester Formula: C26H28O6S MolecularWeight: 468.56192

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(OC2=C(C1=O)C=C(C=C2)C(=O)OCOC(=O)C(C)(C)C)C3CC3C4=CC=CS4

Isomeric SMILES

CCCC1=C(OC2=C(C1=O)C=C(C=C2)C(=O)OCOC(=O)C(C)(C)C)C3CC3C4=CC=CS4

InChI

InChI=1S/C26H28O6S/c1-5-7-16-22(27)19-12-15(24(28)30-14-31-25(29)26(2,3)4)9-10-20(19)32-23(16)18-13-17(18)21-8-6-11-33-21/h6,8-12,17-18H,5,7,13-14H2,1-4H3