5-(cyclopropylmethylsulfanyl)-2-methyl-2,3-dihydro-1-benzofuran-7-carboxylic acid

Systemtic Name: 5-(cyclopropylmethylsulfanyl)-2-methyl-2,3-dihydro-1-benzofuran-7-carboxylic acid Openeye Name: 5-(cyclopropylmethylsulfanyl)-2-methyl-2,3-dihydrobenzofuran-7-carboxylic acid CAS Name: 5-(cyclopropylmethylthio)-2-methyl-2,3-dihydrobenzofuran-7-carboxylic acid IUPAC Name: 5-(cyclopropylmethylsulfanyl)-2-methyl-2,3-dihydro-1-benzofuran-7-carboxylic acid Traditional Name: 5-(cyclopropylmethylthio)-2-methyl-coumaran-7-carboxylic acid Formula: C14H16O3S MolecularWeight: 264.34004

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=C(O1)C(=CC(=C2)SCC3CC3)C(=O)O

Isomeric SMILES

CC1CC2=C(O1)C(=CC(=C2)SCC3CC3)C(=O)O

InChI

InChI=1S/C14H16O3S/c1-8-4-10-5-11(18-7-9-2-3-9)6-12(14(15)16)13(10)17-8/h5-6,8-9H,2-4,7H2,1H3,(H,15,16)