3,6,6-trimethyl-4-oxidanylidene-N-(2-phenylsulfanylethyl)-5,7-dihydro-1-benzofuran-2-carboxamide

Systemtic Name: 3,6,6-trimethyl-4-oxidanylidene-N-(2-phenylsulfanylethyl)-5,7-dihydro-1-benzofuran-2-carboxamide Openeye Name: 3,6,6-trimethyl-4-oxo-N-(2-phenylsulfanylethyl)-5,7-dihydrobenzofuran-2-carboxamide CAS Name: 3,6,6-trimethyl-4-oxo-N-[2-(phenylthio)ethyl]-5,7-dihydrobenzofuran-2-carboxamide IUPAC Name: 3,6,6-trimethyl-4-oxo-N-(2-phenylsulfanylethyl)-5,7-dihydro-1-benzofuran-2-carboxamide Traditional Name: 4-keto-3,6,6-trimethyl-N-[2-(phenylthio)ethyl]-5,7-dihydrobenzofuran-2-carboxamide Formula: C20H23NO3S MolecularWeight: 357.46652

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C(=O)CC(C2)(C)C)C(=O)NCCSC3=CC=CC=C3

Isomeric SMILES

CC1=C(OC2=C1C(=O)CC(C2)(C)C)C(=O)NCCSC3=CC=CC=C3

InChI

InChI=1S/C20H23NO3S/c1-13-17-15(22)11-20(2,3)12-16(17)24-18(13)19(23)21-9-10-25-14-7-5-4-6-8-14/h4-8H,9-12H2,1-3H3,(H,21,23)