[4,6,7-trimethyl-2-(phenylsulfanylmethyl)-2,3-dihydro-1-benzofuran-5-yl] ethanoate

Systemtic Name: [4,6,7-trimethyl-2-(phenylsulfanylmethyl)-2,3-dihydro-1-benzofuran-5-yl] ethanoate Openeye Name: [4,6,7-trimethyl-2-(phenylsulfanylmethyl)-2,3-dihydrobenzofuran-5-yl] acetate CAS Name: acetic acid [4,6,7-trimethyl-2-[(phenylthio)methyl]-2,3-dihydrobenzofuran-5-yl] ester IUPAC Name: [4,6,7-trimethyl-2-(phenylsulfanylmethyl)-2,3-dihydro-1-benzofuran-5-yl] acetate Traditional Name: acetic acid [4,6,7-trimethyl-2-[(phenylthio)methyl]coumaran-5-yl] ester Formula: C20H22O3S MolecularWeight: 342.45188

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C(=C1C)OC(=O)C)C)CC(O2)CSC3=CC=CC=C3

Isomeric SMILES

CC1=C2C(=C(C(=C1C)OC(=O)C)C)CC(O2)CSC3=CC=CC=C3

InChI

InChI=1S/C20H22O3S/c1-12-13(2)20-18(14(3)19(12)22-15(4)21)10-16(23-20)11-24-17-8-6-5-7-9-17/h5-9,16H,10-11H2,1-4H3