(4-methylsulfanylphenyl)methyl 3-methyl-1-benzofuran-2-carboxylate

Systemtic Name: (4-methylsulfanylphenyl)methyl 3-methyl-1-benzofuran-2-carboxylate Openeye Name: (4-methylsulfanylphenyl)methyl 3-methylbenzofuran-2-carboxylate CAS Name: 3-methyl-2-benzofurancarboxylic acid [4-(methylthio)phenyl]methyl ester IUPAC Name: (4-methylsulfanylphenyl)methyl 3-methyl-1-benzofuran-2-carboxylate Traditional Name: 3-methylcoumarilic acid [4-(methylthio)benzyl] ester Formula: C18H16O3S MolecularWeight: 312.38284

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=CC=CC=C12)C(=O)OCC3=CC=C(C=C3)SC

Isomeric SMILES

CC1=C(OC2=CC=CC=C12)C(=O)OCC3=CC=C(C=C3)SC

InChI

InChI=1S/C18H16O3S/c1-12-15-5-3-4-6-16(15)21-17(12)18(19)20-11-13-7-9-14(22-2)10-8-13/h3-10H,11H2,1-2H3