3-[[(2S)-butan-2-yl]sulfanylmethyl]-1-benzofuran-2-carboxylate

Systemtic Name: 3-[[(2S)-butan-2-yl]sulfanylmethyl]-1-benzofuran-2-carboxylate Openeye Name: 3-[[(1S)-1-methylpropyl]sulfanylmethyl]benzofuran-2-carboxylate CAS Name: 3-[[[(2S)-butan-2-yl]thio]methyl]-2-benzofurancarboxylate IUPAC Name: 3-[[(2S)-butan-2-yl]sulfanylmethyl]-1-benzofuran-2-carboxylate Traditional Name: 3-[[[(1S)-1-methylpropyl]thio]methyl]coumarilate Formula: C14H15O3S- MolecularWeight: 263.3321

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)SCC1=C(OC2=CC=CC=C21)C(=O)[O-]

Isomeric SMILES

CC[C@H](C)SCC1=C(OC2=CC=CC=C21)C(=O)[O-]

InChI

InChI=1S/C14H16O3S/c1-3-9(2)18-8-11-10-6-4-5-7-12(10)17-13(11)14(15)16/h4-7,9H,3,8H2,1-2H3,(H,15,16)/p-1/t9-/m0/s1