6-chloranyl-7-methyl-5-thiophen-2-ylcarbonyl-2,3-dihydro-1-benzofuran-2-carboxylic acid

Systemtic Name: 6-chloranyl-7-methyl-5-thiophen-2-ylcarbonyl-2,3-dihydro-1-benzofuran-2-carboxylic acid Openeye Name: 6-chloro-7-methyl-5-(thiophene-2-carbonyl)-2,3-dihydrobenzofuran-2-carboxylic acid CAS Name: 6-chloro-7-methyl-5-[oxo(thiophen-2-yl)methyl]-2,3-dihydrobenzofuran-2-carboxylic acid IUPAC Name: 6-chloro-7-methyl-5-(thiophene-2-carbonyl)-2,3-dihydro-1-benzofuran-2-carboxylic acid Traditional Name: 6-chloro-7-methyl-5-(2-thenoyl)coumaran-2-carboxylic acid Formula: C15H11ClO4S MolecularWeight: 322.76344

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC2=C1OC(C2)C(=O)O)C(=O)C3=CC=CS3)Cl

Isomeric SMILES

CC1=C(C(=CC2=C1OC(C2)C(=O)O)C(=O)C3=CC=CS3)Cl

InChI

InChI=1S/C15H11ClO4S/c1-7-12(16)9(13(17)11-3-2-4-21-11)5-8-6-10(15(18)19)20-14(7)8/h2-5,10H,6H2,1H3,(H,18,19)