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3-(2-methylpropylsulfanylmethyl)-1-benzofuran-2-carboxylate

3-(2-methylpropylsulfanylmethyl)-1-benzofuran-2-carboxylate

Systemtic Name:3-(2-methylpropylsulfanylmethyl)-1-benzofuran-2-carboxylate
Openeye Name:3-(isobutylsulfanylmethyl)benzofuran-2-carboxylate
CAS Name:3-[(2-methylpropylthio)methyl]-2-benzofurancarboxylate
IUPAC Name:3-(2-methylpropylsulfanylmethyl)-1-benzofuran-2-carboxylate
Traditional Name:3-[(isobutylthio)methyl]coumarilate
Formula: C14H15O3S-
MolecularWeight: 263.3321
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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CSCC1=C(OC2=CC=CC=C21)C(=O)[O-]


Isomeric SMILES

CC(C)CSCC1=C(OC2=CC=CC=C21)C(=O)[O-]


InChI

InChI=1S/C14H16O3S/c1-9(2)7-18-8-11-10-5-3-4-6-12(10)17-13(11)14(15)16/h3-6,9H,7-8H2,1-2H3,(H,15,16)/p-1


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