(3-oxidanylidene-1H-2-benzofuran-1-yl) 2-(3-chloranyl-4-thiophen-2-ylcarbonyl-phenyl)propanoate

Systemtic Name: (3-oxidanylidene-1H-2-benzofuran-1-yl) 2-(3-chloranyl-4-thiophen-2-ylcarbonyl-phenyl)propanoate Openeye Name: (3-oxo-1H-isobenzofuran-1-yl) 2-[3-chloro-4-(thiophene-2-carbonyl)phenyl]propanoate CAS Name: 2-[3-chloro-4-[oxo(thiophen-2-yl)methyl]phenyl]propanoic acid (3-oxo-1H-isobenzofuran-1-yl) ester IUPAC Name: (3-oxo-1H-2-benzofuran-1-yl) 2-[3-chloro-4-(thiophene-2-carbonyl)phenyl]propanoate Traditional Name: 2-[3-chloro-4-(2-thenoyl)phenyl]propionic acid phthalidyl ester Formula: C22H15ClO5S MolecularWeight: 426.8695

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=C(C=C1)C(=O)C2=CC=CS2)Cl)C(=O)OC3C4=CC=CC=C4C(=O)O3

Isomeric SMILES

CC(C1=CC(=C(C=C1)C(=O)C2=CC=CS2)Cl)C(=O)OC3C4=CC=CC=C4C(=O)O3

InChI

InChI=1S/C22H15ClO5S/c1-12(20(25)27-22-15-6-3-2-5-14(15)21(26)28-22)13-8-9-16(17(23)11-13)19(24)18-7-4-10-29-18/h2-12,22H,1H3