6-chloranyl-7-methyl-5-[oxidanyl(thiophen-2-yl)methyl]-2,3-dihydro-1-benzofuran-2-carboxylic acid

Systemtic Name: 6-chloranyl-7-methyl-5-[oxidanyl(thiophen-2-yl)methyl]-2,3-dihydro-1-benzofuran-2-carboxylic acid Openeye Name: 6-chloro-5-[hydroxy(2-thienyl)methyl]-7-methyl-2,3-dihydrobenzofuran-2-carboxylic acid CAS Name: 6-chloro-5-[hydroxy(thiophen-2-yl)methyl]-7-methyl-2,3-dihydrobenzofuran-2-carboxylic acid IUPAC Name: 6-chloro-5-[hydroxy(thiophen-2-yl)methyl]-7-methyl-2,3-dihydro-1-benzofuran-2-carboxylic acid Traditional Name: 6-chloro-5-[hydroxy(2-thienyl)methyl]-7-methyl-coumaran-2-carboxylic acid Formula: C15H13ClO4S MolecularWeight: 324.77932

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC(=C1Cl)C(C3=CC=CS3)O)CC(O2)C(=O)O

Isomeric SMILES

CC1=C2C(=CC(=C1Cl)C(C3=CC=CS3)O)CC(O2)C(=O)O

InChI

InChI=1S/C15H13ClO4S/c1-7-12(16)9(13(17)11-3-2-4-21-11)5-8-6-10(15(18)19)20-14(7)8/h2-5,10,13,17H,6H2,1H3,(H,18,19)