3-[(4-methylphenyl)sulfanylmethyl]-1-benzofuran-2-carboxylate

Systemtic Name: 3-[(4-methylphenyl)sulfanylmethyl]-1-benzofuran-2-carboxylate Openeye Name: 3-(p-tolylsulfanylmethyl)benzofuran-2-carboxylate CAS Name: 3-[[(4-methylphenyl)thio]methyl]-2-benzofurancarboxylate IUPAC Name: 3-[(4-methylphenyl)sulfanylmethyl]-1-benzofuran-2-carboxylate Traditional Name: 3-[(p-tolylthio)methyl]coumarilate Formula: C17H13O3S- MolecularWeight: 297.34832

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCC2=C(OC3=CC=CC=C32)C(=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)SCC2=C(OC3=CC=CC=C32)C(=O)[O-]

InChI

InChI=1S/C17H14O3S/c1-11-6-8-12(9-7-11)21-10-14-13-4-2-3-5-15(13)20-16(14)17(18)19/h2-9H,10H2,1H3,(H,18,19)/p-1