butyl 2-(1-phenylsulfanylpropan-2-yl)-2,3-dihydro-1-benzofuran-6-carboxylate

Systemtic Name: butyl 2-(1-phenylsulfanylpropan-2-yl)-2,3-dihydro-1-benzofuran-6-carboxylate Openeye Name: butyl 2-(1-methyl-2-phenylsulfanyl-ethyl)-2,3-dihydrobenzofuran-6-carboxylate CAS Name: 2-[1-(phenylthio)propan-2-yl]-2,3-dihydrobenzofuran-6-carboxylic acid butyl ester IUPAC Name: butyl 2-(1-phenylsulfanylpropan-2-yl)-2,3-dihydro-1-benzofuran-6-carboxylate Traditional Name: 2-[1-methyl-2-(phenylthio)ethyl]coumaran-6-carboxylic acid butyl ester Formula: C22H26O3S MolecularWeight: 370.50504

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC2=C(CC(O2)C(C)CSC3=CC=CC=C3)C=C1

Isomeric SMILES

CCCCOC(=O)C1=CC2=C(CC(O2)C(C)CSC3=CC=CC=C3)C=C1

InChI

InChI=1S/C22H26O3S/c1-3-4-12-24-22(23)18-11-10-17-13-20(25-21(17)14-18)16(2)15-26-19-8-6-5-7-9-19/h5-11,14,16,20H,3-4,12-13,15H2,1-2H3